Glycoside
GD154987
Name:
5-hydroxy-6,8-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C29H36O15Smiles:
Cc1c(O)c2c(c(C)c1OC1OC(CO)C(O)C(O)C1O)OC(c1ccc(OC3OC(CO)C(O)C(O)C3O)cc1)CC2=OAglycone:
Cc1c(O)c(C)c2c(c1O)C(=O)CC(c1ccc(O)cc1)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.55 |
| AlogP: | -1.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 624.59 | Num_heavy_atoms: | 44 |
| TPSA: | 245.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD52823
Formula: C17H16O5
Smiles:
Cc1c(O)c(C)c2c(c1O)C(=O)CC(c1ccc(O)cc1)O2| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 3.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 300.31 | Num_heavy_atoms: | 22 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
