Glycoside
GD146596
Name:
6-{4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}-5,7-dihydroxy-2-phenyl-4H-chromen-4-oneFormula:
C27H30O12Smiles:
CC1OC(OC2C(c3c(O)cc4oc(-c5ccccc5)cc(=O)c4c3O)OC(C)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(OC2C(O)OC(C)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 546.53 | Num_heavy_atoms: | 39 |
| TPSA: | 199.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD21411
Formula: C15H10O4
Smiles:
O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 254.24 | Num_heavy_atoms: | 19 |
| TPSA: | 70.67 | NumAromaticRings: | 3 |
