Glycoside
...
GD110664

Name:
None

Formula:
C30H27O13Cl

Smiles:
CC(=O)OC[C@@H]1O[C@@H](Oc2cc3occ(-c4ccc(Cl)cc4)c(O)c-3c(=O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=c1cc(O)cc2occ(-c3ccc(Cl)cc3)c(O)c1-2

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 1 FractionCSP3: 0.34
AlogP: 3.23 Num_rotatable_bonds: 8
MolWt: 618.98 Num_heavy_atoms: 43
TPSA: 174.1 NumAromaticRings: 1

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD44037
Formula: C16H9O4Cl

Smiles:
O=c1cc(O)cc2occ(-c3ccc(Cl)cc3)c(O)c1-2
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.0
AlogP: 3.48 Num_rotatable_bonds: 1
MolWt: 288.69 Num_heavy_atoms: 20
TPSA: 70.67 NumAromaticRings: 1

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O