Glycoside
GD122015
Name:
6-(4,5-dihydroxy-6-methyloxan-2-yl)-5-hydroxy-2-phenyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C27H30O12Smiles:
CC1OC(c2c(OC3OC(CO)C(O)C(O)C3O)cc3oc(-c4ccccc4)cc(=O)c3c2O)CC(O)C1OAglycone:
CC1OC(c2c(O)cc3oc(-c4ccccc4)cc(=O)c3c2O)CC(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 546.53 | Num_heavy_atoms: | 39 |
| TPSA: | 199.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD49144
Formula: C21H20O7
Smiles:
CC1OC(c2c(O)cc3oc(-c4ccccc4)cc(=O)c3c2O)CC(O)C1O| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 2 |
| MolWt: | 384.38 | Num_heavy_atoms: | 28 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
