Glycoside
...
GD149307

Name:
5-({5-[(3-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-6-[({3-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)methyl]-3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}oxy)-2-({5-amino-6-[(5-amino-2,3,4,6-tetrahydroxyhexyl)oxy]-3,4-dihydroxyoxan-2-yl}methoxy)-6-(1,2-dihydroxypropan-2-yl)-4-{[6-(1,2-dihydroxypropan-2-yl)-4,5-dihydroxyoxan-2-yl]oxy}oxane-2-carboxylic acid

Formula:
C77H135O60N3

Smiles:
CC(O)(CO)C1OC(OC2CC(OCC3OC(OCC(O)C(O)C(O)C(N)CO)C(N)C(O)C3O)(C(=O)O)OC(C(C)(O)CO)C2OC2OC(COC3OC(CO)C(O)C(O)C3OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3N)C(OC3OC(CO)C(O)C(O)C3O)C2O)CC(O)C1O

Aglycone:
CC(O)CO.CC(O)CO

Sugarmoiety:
CC(O)(CO)C1OC(OCC2OC(OCC(O)C(O)C(O)C(N)CO)C(N)C(O)C2O)(C(=O)O)CC(OC(CO)OO)C1OC1OC(COC2OC(CO)C(O)C(O)C2OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2N)C(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 63 RingCount: 11
HBD: 43 FractionCSP3: 0.99
AlogP: -26.6 Num_rotatable_bonds: 41
MolWt: 2062.89 Num_heavy_atoms: 140
TPSA: 1046.7 NumAromaticRings: 0

Unique Aglycone
AD05567
Formula: C3H8O2

Smiles:
CC(O)CO
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 1.0
AlogP: -0.64 Num_rotatable_bonds: 1
MolWt: 76.09 Num_heavy_atoms: 5
TPSA: 40.46 NumAromaticRings: 0

Sugarmoiety
SD09654

CC(O)(CO)C1OC(OCC2OC(OCC(O)C(O)C(O)C(N)CO)C(N)C(O)C2O)(C(=O)O)CC(OC(CO)OO)C1OC1OC(COC2OC(CO)C(O)C(O)C2OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2N)C(OC2OC(CO)C(O)C(O)C2O)C1O