Glycoside
GD118021
Name:
7-hydroxy-2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,5-dimethoxy-4H-chromen-4-oneFormula:
C23H24O12Smiles:
COc1c(-c2ccc(OC3OC(CO)C(O)C(O)C3O)c(O)c2)oc2cc(O)cc(OC)c2c1=OAglycone:
COc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(OC)c2c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 492.43 | Num_heavy_atoms: | 35 |
| TPSA: | 188.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD47133
Formula: C17H14O7
Smiles:
COc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(OC)c2c1=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.29 | Num_heavy_atoms: | 24 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
