Glycoside
...
GD130608

Name:
Tetracentronside A

Formula:
C23H28O12

Smiles:
COc1cc(C(=O)OCC2OC(Oc3cc(OC)c(OC)c(OC)c3)C(O)C(O)C2O)ccc1O

Aglycone:
COC(=O)c1ccc(O)c(OC)c1.COc1cc(O)cc(OC)c1OC

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 4 FractionCSP3: 0.43
AlogP: 0.47 Num_rotatable_bonds: 9
MolWt: 496.47 Num_heavy_atoms: 35
TPSA: 162.6 NumAromaticRings: 2

Unique Aglycone
AD00095
Formula: C9H10O4

Smiles:
COC(=O)c1ccc(O)c(OC)c1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.22
AlogP: 1.19 Num_rotatable_bonds: 2
MolWt: 182.17 Num_heavy_atoms: 13
TPSA: 55.76 NumAromaticRings: 1
AD07763
Formula: C9H12O4

Smiles:
COc1cc(O)cc(OC)c1OC
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.33
AlogP: 1.42 Num_rotatable_bonds: 3
MolWt: 184.19 Num_heavy_atoms: 13
TPSA: 47.92 NumAromaticRings: 1

Sugarmoiety
SD00017

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