Glycoside
...
GD039044

Name:
(2s,4ar,6r,7s,8r,8as)-7-(acetylamino)-6-({2-(acetylamino)-3-o-[2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl]-4,6-o-[(1s)-1-carboxylic acidethylidene]-2-deoxy-beta-d-mannopyranosyl}oxy)-8-{[2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl]oxy}-2-methylhexahydro-2h-pyrano[3,2-d][1,3]dioxine-2-carboxylic acid

Formula:
C20H32O13N2

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

Aglycone:
COC1OC2COC(C)(C(=O)O)OC2C(O)C1NC(C)=O

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 6 FractionCSP3: 0.85
AlogP: -3.59 Num_rotatable_bonds: 7
MolWt: 508.48 Num_heavy_atoms: 35
TPSA: 211.57 NumAromaticRings: 0

Unique Aglycone
AD24149
Formula: C12H19O8N

Smiles:
COC1OC2COC(C)(C(=O)O)OC2C(O)C1NC(C)=O
HBA: 9 RingCount: 2
HBD: 3 FractionCSP3: 0.83
AlogP: -1.56 Num_rotatable_bonds: 3
MolWt: 305.28 Num_heavy_atoms: 21
TPSA: 123.55 NumAromaticRings: 0

Sugarmoiety
SD00014

CC(=O)NC1C(O)OC(CO)C(O)C1O