Glycoside
...
GD020623

Name:
6-{[4,5-bis(acetyloxy)-2-[(5-hydroxy-6-{[4-hydroxy-2-(1-hydroxyethyl)pyrrolidin-3-yl]oxy}-2-(hydroxymethyl)-4-methoxyoxan-3-yl)oxy]oxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula:
C28H45O20N

Smiles:
CO[C@@H]1[C@H](O)[C@H](O[C@H]2[C@H]([C@H](C)O)NC[C@H]2O)O[C@H](CO)[C@H]1O[C@@H]1OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC(O)C1NCC(O)C1O

Sugarmoiety:
COC1C(O)C(O)OC(CO)C1OC1OCC(OC(C)=O)C(OC(C)=O)C1OC1OC(C(=O)O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 4
HBD: 9 FractionCSP3: 0.89
AlogP: -5.94 Num_rotatable_bonds: 12
MolWt: 715.66 Num_heavy_atoms: 49
TPSA: 308.15 NumAromaticRings: 0

Unique Aglycone
AD14214
Formula: C6H13O3N

Smiles:
CC(O)C1NCC(O)C1O
HBA: 4 RingCount: 1
HBD: 4 FractionCSP3: 1.0
AlogP: -1.94 Num_rotatable_bonds: 1
MolWt: 147.17 Num_heavy_atoms: 10
TPSA: 72.72 NumAromaticRings: 0

Sugarmoiety
SD02345

COC1C(O)C(O)OC(CO)C1OC1OCC(OC(C)=O)C(OC(C)=O)C1OC1OC(C(=O)O)C(O)C(O)C1O