Glycoside
GD152016
Name:
9-methoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-5,6-dihydro-2H-1-benzoxocin-2-oneFormula:
C30H36O15Smiles:
COc1ccc2c(c1)OC(=O)C=C(c1ccc(OC3OC(CO)C(O)C(O)C3O)cc1)C(OC1OC(CO)C(O)C(O)C1O)C2Aglycone:
COc1ccc2c(c1)OC(=O)C=C(c1ccc(O)cc1)C(O)C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -2.4 | Num_rotatable_bonds: | 8 |
| MolWt: | 636.6 | Num_heavy_atoms: | 45 |
| TPSA: | 234.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD59072
Formula: C18H16O5
Smiles:
COc1ccc2c(c1)OC(=O)C=C(c1ccc(O)cc1)C(O)C2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 312.32 | Num_heavy_atoms: | 23 |
| TPSA: | 75.99 | NumAromaticRings: | 2 |
