Glycoside
...
GD143767

Name:
Geponin

Formula:
C33H28O21

Smiles:
O=C(OC1OC(CO)C(O)C(OC(=O)c2cc(O)c(O)c(O)c2)C1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(Oc2ccc(O)c(O)c2O)c1

Aglycone:
O=C(O)c1cc(O)c(O)c(O)c1.O=C(O)c1cc(O)c(O)c(O)c1.O=C(O)c1cc(O)c(O)c(Oc2ccc(O)c(O)c2O)c1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 5
HBD: 13 FractionCSP3: 0.18
AlogP: 0.93 Num_rotatable_bonds: 9
MolWt: 760.57 Num_heavy_atoms: 54
TPSA: 360.35 NumAromaticRings: 4

Unique Aglycone
AD00518
Formula: C7H6O5

Smiles:
O=C(O)c1cc(O)c(O)c(O)c1
HBA: 5 RingCount: 1
HBD: 4 FractionCSP3: 0.0
AlogP: 0.5 Num_rotatable_bonds: 1
MolWt: 170.12 Num_heavy_atoms: 12
TPSA: 97.99 NumAromaticRings: 1
AD57800
Formula: C13H10O8

Smiles:
O=C(O)c1cc(O)c(O)c(Oc2ccc(O)c(O)c2O)c1
HBA: 8 RingCount: 2
HBD: 6 FractionCSP3: 0.0
AlogP: 1.71 Num_rotatable_bonds: 3
MolWt: 294.21 Num_heavy_atoms: 21
TPSA: 147.68 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O