Glycoside
...
GD000846

Name:
None

Formula:
C31H50O13

Smiles:
C[C@@H]1O[C@H](O[C@@H]2CCCC[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H](CC34CC5CC(CC(C5)C3)C4)C(=O)O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
O=C(O)C(O)CC12CC3CC(CC(C3)C1)C2.OC1CCCCC1O

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 7
HBD: 7 FractionCSP3: 0.97
AlogP: 0.04 Num_rotatable_bonds: 10
MolWt: 630.73 Num_heavy_atoms: 44
TPSA: 204.83 NumAromaticRings: 0

Unique Aglycone
AD00489
Formula: C6H12O2

Smiles:
OC1CCCCC1O
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 1.0
AlogP: 0.28 Num_rotatable_bonds: 0
MolWt: 116.16 Num_heavy_atoms: 8
TPSA: 40.46 NumAromaticRings: 0
AD00883
Formula: C13H20O3

Smiles:
O=C(O)C(O)CC12CC3CC(CC(C3)C1)C2
HBA: 3 RingCount: 4
HBD: 2 FractionCSP3: 0.92
AlogP: 2.04 Num_rotatable_bonds: 3
MolWt: 224.3 Num_heavy_atoms: 16
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD00170

CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O