Glycoside
GD130240
Name:
7-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy]-6,9-dihydroxy-2-methoxy-9-methyl-5,7,8,9,10,12-hexahydrotetracene-5,12-dioneFormula:
C27H30O10Smiles:
COc1ccc2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(OC1OC(C)C(O)C(O)C1OC)CC(C)(O)C3Aglycone:
COc1ccc2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(O)CC(C)(O)C3Sugarmoiety:
COC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 514.53 | Num_heavy_atoms: | 37 |
| TPSA: | 151.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD46396
Formula: C20H18O6
Smiles:
COc1ccc2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(O)CC(C)(O)C3| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 354.36 | Num_heavy_atoms: | 26 |
| TPSA: | 104.06 | NumAromaticRings: | 2 |
