Glycoside
...
GD036087

Name:
None

Formula:
C29H27O10Cl

Smiles:
O=C(COc1ccc(O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](O)[C@H](O)[C@H]2O)c(CO)c1)c1ccc(Cl)cc1

Aglycone:
COC(=O)c1ccccc1.O=C(COc1ccc(O)c(CO)c1)c1ccc(Cl)cc1

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

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 4 FractionCSP3: 0.29
AlogP: 2.14 Num_rotatable_bonds: 10
MolWt: 558.97 Num_heavy_atoms: 39
TPSA: 151.98 NumAromaticRings: 3

Unique Aglycone
AD00480
Formula: C8H8O2

Smiles:
COC(=O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.12
AlogP: 1.47 Num_rotatable_bonds: 1
MolWt: 136.15 Num_heavy_atoms: 10
TPSA: 26.3 NumAromaticRings: 1
AD22795
Formula: C16H13O4Cl

Smiles:
O=C(COc1ccc(O)c(CO)c1)c1ccc(Cl)cc1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.13
AlogP: 2.8 Num_rotatable_bonds: 5
MolWt: 292.72 Num_heavy_atoms: 20
TPSA: 66.76 NumAromaticRings: 2

Sugarmoiety
SD00017

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