Glycoside
...
GD155635

Name:
2-({5-[(5-{[5-({5-[(4-{[5-({5-[(4-{[5-({5-[(4-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl)amino]-3,4-dihydroxy-6-methyloxan-2-yl}oxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl)amino]-3,4-dihydroxy-6-methyloxan-2-yl}oxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl)amino]-3,4-dihydroxy-6-methyloxan-2-yl}oxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C87H145O62N3

Smiles:
CC1OC(OC2C(CO)OC(OC3C(CO)=CC(NC4C(C)OC(OC5C(CO)OC(OC6C(CO)=CC(NC7C(C)OC(OC8C(CO)OC(OC9C(CO)OC(OC%10C(CO)OC(OC%11OC(CO)C(O)C(O)C%11O)C(O)C%10O)C(O)C9O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1NC1C=C(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O

Aglycone:
NC1C=C(CO)C(O)C(O)C1O.NC1C=C(CO)C(O)C(O)C1O.NC1C=C(CO)C(O)C(O)C1O

Sugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 65 RingCount: 14
HBD: 44 FractionCSP3: 0.93
AlogP: -27.95 Num_rotatable_bonds: 37
MolWt: 2225.08 Num_heavy_atoms: 152
TPSA: 1059.35 NumAromaticRings: 0

Unique Aglycone
AD02201
Formula: C7H13O4N

Smiles:
NC1C=C(CO)C(O)C(O)C1O
HBA: 5 RingCount: 1
HBD: 6 FractionCSP3: 0.71
AlogP: -2.67 Num_rotatable_bonds: 1
MolWt: 175.18 Num_heavy_atoms: 12
TPSA: 106.94 NumAromaticRings: 0

Sugarmoiety
SD10368

CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O