Glycoside
GD156330
Name:
6-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-oneFormula:
C27H30O14Smiles:
CC1OC(OC2C(c3cc4c(=O)cc(-c5ccc(O)c(O)c5)oc4cc3O)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)ccc12Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.44 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 578.52 | Num_heavy_atoms: | 41 |
| TPSA: | 239.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD04748
Formula: C15H10O5
Smiles:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)ccc12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
