Glycoside
...
GD021800

Name:
Withanoside V

Formula:
C40H62O14

Smiles:
CC1=C(C)C(=O)OC(C(C)C2CCC3C4CC=C5CC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CC(O)C5(C)C4CCC23C)C1

Aglycone:
CC1=C(C)C(=O)OC(C(C)C2CCC3C4CC=C5CC(O)CC(O)C5(C)C4CCC23C)C1

Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 8 FractionCSP3: 0.88
AlogP: 0.83 Num_rotatable_bonds: 8
MolWt: 766.92 Num_heavy_atoms: 54
TPSA: 225.06 NumAromaticRings: 0

Unique Aglycone
AD14846
Formula: C28H42O4

Smiles:
CC1=C(C)C(=O)OC(C(C)C2CCC3C4CC=C5CC(O)CC(O)C5(C)C4CCC23C)C1
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.82
AlogP: 5.19 Num_rotatable_bonds: 2
MolWt: 442.64 Num_heavy_atoms: 32
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD00070

OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O