Glycoside
GD127092
Name:
7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-5-yl acetateFormula:
C29H32O16Smiles:
CC(=O)Oc1c(C2OC(CO)C(O)C(O)C2O)c(O)c(C2OC(CO)C(O)C(O)C2O)c2oc(-c3ccc(O)cc3)cc(=O)c12Aglycone:
CC(=O)Oc1cc(O)cc2oc(-c3ccc(O)cc3)cc(=O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.45 |
| AlogP: | -2.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 636.56 | Num_heavy_atoms: | 45 |
| TPSA: | 277.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD51450
Formula: C17H12O6
Smiles:
CC(=O)Oc1cc(O)cc2oc(-c3ccc(O)cc3)cc(=O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 312.28 | Num_heavy_atoms: | 23 |
| TPSA: | 96.97 | NumAromaticRings: | 3 |
