Glycoside
GD145700
Name:
5,7-dihydroxy-2-(4-hydroxyphenyl)-3,6-bis[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-4H-chromen-4-oneFormula:
C27H30O17Smiles:
O=c1c(OCC2OC(O)C(O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(O)c(OCC3OC(O)C(O)C(O)C3O)c(O)c12Aglycone:
COc1c(O)cc2oc(-c3ccc(O)cc3)c(OC)c(=O)c2c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.44 |
| AlogP: | -3.07 | Num_rotatable_bonds: | 7 |
| MolWt: | 626.52 | Num_heavy_atoms: | 44 |
| TPSA: | 289.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD58464
Formula: C17H14O7
Smiles:
COc1c(O)cc2oc(-c3ccc(O)cc3)c(OC)c(=O)c2c1O| 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 |
