Glycoside
...
GD127474

Name:
Viburtinoside A

Formula:
C34H44O16

Smiles:
CC(=O)OCC1(O)C(OC(C)=O)CC2C(COC3OC(CO)C(O)C(O)C3OC(=O)C=Cc3ccc(O)cc3)=COC(OC(=O)CC(C)C)C21

Aglycone:
CC(=O)OCC1(O)C(OC(C)=O)CC2C(CO)=COC(OC(=O)CC(C)C)C21.O=C(O)C=Cc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 16 RingCount: 4
HBD: 5 FractionCSP3: 0.59
AlogP: 0.46 Num_rotatable_bonds: 13
MolWt: 708.71 Num_heavy_atoms: 50
TPSA: 234.04 NumAromaticRings: 1

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
AD44186
Formula: C19H28O9

Smiles:
CC(=O)OCC1(O)C(OC(C)=O)CC2C(CO)=COC(OC(=O)CC(C)C)C21
HBA: 9 RingCount: 2
HBD: 2 FractionCSP3: 0.74
AlogP: 0.67 Num_rotatable_bonds: 7
MolWt: 400.42 Num_heavy_atoms: 28
TPSA: 128.59 NumAromaticRings: 0

Sugarmoiety
SD00003

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