Glycoside
GD139308
Name:
6,9-dihydroxy-1-methyl-8-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6,7,8-tetrahydroanthracen-2-yl acetateFormula:
C23H26O11Smiles:
CC(=O)Oc1c(OC2OC(CO)C(O)C(O)C2O)cc2cc3c(c(O)c2c1C)C(=O)CC(O)C3Aglycone:
CC(=O)Oc1c(O)cc2cc3c(c(O)c2c1C)C(=O)CC(O)C3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 478.45 | Num_heavy_atoms: | 34 |
| TPSA: | 183.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD56174
Formula: C17H16O6
Smiles:
CC(=O)Oc1c(O)cc2cc3c(c(O)c2c1C)C(=O)CC(O)C3| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 316.31 | Num_heavy_atoms: | 23 |
| TPSA: | 104.06 | NumAromaticRings: | 2 |
