Glycoside
...
GD008353

Name:
LIGUROBUSTOSIDE I

Formula:
C31H44O13

Smiles:
CC(=CCO[C@@H]1O[C@H](CO)[C@H](OC(=O)C=Cc2ccc(O)cc2)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O)CC=CC(C)(C)O

Aglycone:
CC(=CCO)CC=CC(C)(C)O.O=C(O)C=Cc1ccc(O)cc1

Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 7 FractionCSP3: 0.58
AlogP: 0.29 Num_rotatable_bonds: 12
MolWt: 624.68 Num_heavy_atoms: 44
TPSA: 204.83 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
AD06677
Formula: C10H18O2

Smiles:
CC(=CCO)CC=CC(C)(C)O
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 0.6
AlogP: 1.64 Num_rotatable_bonds: 4
MolWt: 170.25 Num_heavy_atoms: 12
TPSA: 40.46 NumAromaticRings: 0

Sugarmoiety
SD00323

CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O