Glycoside
...
GD038270

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

Formula:
C44H74O30N2

Smiles:
C[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](C)[C@@H](N[C@@H]4C=C(CO)[C@@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H]3O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O

Aglycone:
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(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 32 RingCount: 7
HBD: 23 FractionCSP3: 0.91
AlogP: -13.91 Num_rotatable_bonds: 17
MolWt: 1111.06 Num_heavy_atoms: 76
TPSA: 531.96 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
SD03380

CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O