Glycoside
...
GD119760

Name:
Neocomplanoside

Formula:
C24H24O12

Smiles:
COc1cc(O)c2c(=O)c(OC3OC(COC(C)=O)C(O)C(O)C3O)c(-c3ccc(O)cc3)oc2c1

Aglycone:
COC(C)=O.COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 5 FractionCSP3: 0.33
AlogP: 0.63 Num_rotatable_bonds: 6
MolWt: 504.44 Num_heavy_atoms: 36
TPSA: 185.35 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
AD01882
Formula: C16H12O6

Smiles:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1
HBA: 6 RingCount: 3
HBD: 3 FractionCSP3: 0.06
AlogP: 2.59 Num_rotatable_bonds: 2
MolWt: 300.27 Num_heavy_atoms: 22
TPSA: 100.13 NumAromaticRings: 3

Sugarmoiety
SD00017

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