Glycoside
GD147101
Name:
3,9-dihydroxy-8-methyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4-tetrahydroanthracen-1-oneFormula:
C21H24O9Smiles:
Cc1cc(OC2OC(CO)C(O)C(O)C2O)cc2cc3c(c(O)c12)C(=O)CC(O)C3Aglycone:
Cc1cc(O)cc2cc3c(c(O)c12)C(=O)CC(O)C3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 3 |
| MolWt: | 420.41 | Num_heavy_atoms: | 30 |
| TPSA: | 156.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD58103
Formula: C15H14O4
Smiles:
Cc1cc(O)cc2cc3c(c(O)c12)C(=O)CC(O)C3| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 0 |
| MolWt: | 258.27 | Num_heavy_atoms: | 19 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
