Glycoside
...
GD002116

Name:
Multifidoside C

Formula:
C29H34O9

Smiles:
Cc1cc2c(c(C)c1CCO[C@@H]1O[C@H](CO)[C@H](OC(=O)C=Cc3ccc(O)cc3)[C@H](O)[C@H]1O)C(=O)[C@H](C)C2

Aglycone:
Cc1cc2c(c(C)c1CCO)C(=O)C(C)C2.O=C(O)C=Cc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 9 RingCount: 4
HBD: 4 FractionCSP3: 0.45
AlogP: 2.01 Num_rotatable_bonds: 8
MolWt: 526.58 Num_heavy_atoms: 38
TPSA: 142.75 NumAromaticRings: 2

Unique Aglycone
AD00021
Formula: C9H8O3

Smiles:
O=C(O)C=Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.49 Num_rotatable_bonds: 2
MolWt: 164.16 Num_heavy_atoms: 12
TPSA: 57.53 NumAromaticRings: 1
AD02049
Formula: C14H18O2

Smiles:
Cc1cc2c(c(C)c1CCO)C(=O)C(C)C2
HBA: 2 RingCount: 2
HBD: 1 FractionCSP3: 0.5
AlogP: 2.21 Num_rotatable_bonds: 2
MolWt: 218.3 Num_heavy_atoms: 16
TPSA: 37.3 NumAromaticRings: 1

Sugarmoiety
SD00003

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