Glycoside
GD139622
Name:
3-acetyl-4a-{[4,5-dihydroxy-5-(2-hydroxyacetyl)-6-methyloxan-2-yl]oxy}-1,2,6,7-tetrahydroxy-1,2,4a,5,12,12a-hexahydrotetracen-5-oneFormula:
C28H30O12Smiles:
CC(=O)C1=CC2(OC3CC(O)C(O)(C(=O)CO)C(C)O3)C(=O)c3c(cc4cccc(O)c4c3O)CC2C(O)C1OAglycone:
CC(=O)C1=CC2(O)C(=O)c3c(cc4cccc(O)c4c3O)CC2C(O)C1OSugarmoiety:
CC1OC(O)CC(O)C1(O)C(=O)COOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 5 |
| MolWt: | 558.54 | Num_heavy_atoms: | 40 |
| TPSA: | 211.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD56301
Formula: C20H18O7
Smiles:
CC(=O)C1=CC2(O)C(=O)c3c(cc4cccc(O)c4c3O)CC2C(O)C1O| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 370.36 | Num_heavy_atoms: | 27 |
| TPSA: | 135.29 | NumAromaticRings: | 2 |
