Glycoside
...
GD129779

Name:
Coumestrin

Formula:
C21H18O10

Smiles:
O=c1oc2cc(OC3OC(CO)C(O)C(O)C3O)ccc2c2oc3cc(O)ccc3c12

Aglycone:
O=c1oc2cc(O)ccc2c2oc3cc(O)ccc3c12

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

Other Identifiers

Properties
HBA: 10 RingCount: 5
HBD: 5 FractionCSP3: 0.29
AlogP: 0.58 Num_rotatable_bonds: 3
MolWt: 430.37 Num_heavy_atoms: 31
TPSA: 162.96 NumAromaticRings: 4

Unique Aglycone
AD52578
Formula: C15H8O5

Smiles:
O=c1oc2cc(O)ccc2c2oc3cc(O)ccc3c12
HBA: 5 RingCount: 4
HBD: 2 FractionCSP3: 0.0
AlogP: 3.1 Num_rotatable_bonds: 0
MolWt: 268.22 Num_heavy_atoms: 20
TPSA: 83.81 NumAromaticRings: 4

Sugarmoiety
SD00003

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