Glycoside
...
GD004571

Name:
LANTANONE

Formula:
C25H26O12

Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]4O)cc3o2)cc1

Aglycone:
COC(C)=O.COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 4 FractionCSP3: 0.36
AlogP: 0.93 Num_rotatable_bonds: 7
MolWt: 518.47 Num_heavy_atoms: 37
TPSA: 174.35 NumAromaticRings: 3

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
AD00146
Formula: C17H14O6

Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1
HBA: 6 RingCount: 3
HBD: 2 FractionCSP3: 0.12
AlogP: 2.89 Num_rotatable_bonds: 3
MolWt: 314.29 Num_heavy_atoms: 23
TPSA: 89.13 NumAromaticRings: 3

Sugarmoiety
SD00017

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