Glycoside
...
GD000184

Name:
None

Formula:
C38H54O12

Smiles:
COc1ccc([C@@H]2CC(=O)c3ccc(O[C@@H]4O[C@H](COC(=O)CC(C)CCCC(CO)CCCC(C)C)[C@H](O)[C@H](O)[C@H]4O)cc3O2)cc1OC

Aglycone:
COC(=O)CC(C)CCCC(CO)CCCC(C)C.COc1ccc(C2CC(=O)c3ccc(O)cc3O2)cc1OC

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 4 FractionCSP3: 0.63
AlogP: 4.77 Num_rotatable_bonds: 18
MolWt: 702.84 Num_heavy_atoms: 50
TPSA: 170.44 NumAromaticRings: 2

Unique Aglycone
AD00221
Formula: C16H32O3

Smiles:
COC(=O)CC(C)CCCC(CO)CCCC(C)C
HBA: 3 RingCount: 0
HBD: 1 FractionCSP3: 0.94
AlogP: 3.79 Num_rotatable_bonds: 11
MolWt: 272.43 Num_heavy_atoms: 19
TPSA: 46.53 NumAromaticRings: 0
AD00222
Formula: C17H16O5

Smiles:
COc1ccc(C2CC(=O)c3ccc(O)cc3O2)cc1OC
HBA: 5 RingCount: 3
HBD: 1 FractionCSP3: 0.24
AlogP: 3.12 Num_rotatable_bonds: 3
MolWt: 300.31 Num_heavy_atoms: 22
TPSA: 64.99 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O