Glycoside
GD126445
Name:
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-oneFormula:
C28H32O15Smiles:
COc1c(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1OAglycone:
COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.46 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 7 |
| MolWt: | 608.55 | Num_heavy_atoms: | 43 |
| TPSA: | 238.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD10220
Formula: C16H12O6
Smiles:
COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
