Glycoside
GD137757
Name:
10-[(3,5-dihydroxy-4-methoxyoxan-2-yl)oxy]-6,8,9,11-tetrahydroxy-1-methoxy-2,8-dimethyl-5,7,8,9,10,12-hexahydrotetracene-5,12-dioneFormula:
C27H30O12Smiles:
COc1c(C)ccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(C)(O)C(O)C3OC1OCC(O)C(OC)C1OAglycone:
COc1c(C)ccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(C)(O)C(O)C3OSugarmoiety:
COC1C(O)COC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 546.53 | Num_heavy_atoms: | 39 |
| TPSA: | 192.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD55638
Formula: C21H20O8
Smiles:
COc1c(C)ccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(C)(O)C(O)C3O| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 400.38 | Num_heavy_atoms: | 29 |
| TPSA: | 144.52 | NumAromaticRings: | 2 |
