Glycoside
...
GD095779

Name:
Negundoside

Formula:
C23H28O12

Smiles:
C[C@]1(O)CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)c3ccc(O)cc3)[C@@H]21

Aglycone:
CC1(O)CCC2C(C(=O)O)=COC(O)C21.O=C(O)c1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 6 FractionCSP3: 0.57
AlogP: -0.52 Num_rotatable_bonds: 6
MolWt: 496.47 Num_heavy_atoms: 35
TPSA: 192.44 NumAromaticRings: 1

Unique Aglycone
AD02360
Formula: C7H6O3

Smiles:
O=C(O)c1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.09 Num_rotatable_bonds: 1
MolWt: 138.12 Num_heavy_atoms: 10
TPSA: 57.53 NumAromaticRings: 1
AD10227
Formula: C10H14O5

Smiles:
CC1(O)CCC2C(C(=O)O)=COC(O)C21
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.7
AlogP: 0.08 Num_rotatable_bonds: 1
MolWt: 214.22 Num_heavy_atoms: 15
TPSA: 86.99 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O