Glycoside

GD129779
Name:
CoumestrinFormula:
C21H18O10Smiles:
O=c1oc2cc(OC3OC(CO)C(O)C(O)C3O)ccc2c2oc3cc(O)ccc3c12Aglycone:
O=c1oc2cc(O)ccc2c2oc3cc(O)ccc3c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther 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)ccc3c12HBA: | 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 |