Glycoside
GD141599
Name:
7-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3a-hydroxy-9a,11a-dimethyl-1-(2-oxo-2H-pyran-5-yl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-yl acetateFormula:
C38H54O15Smiles:
CC(=O)OC1CC2C(CCC3(C)C(c4ccc(=O)oc4)CCC23O)C2(C)CCC(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C=C12Aglycone:
CC(=O)OC1CC2C(CCC3(C)C(c4ccc(=O)oc4)CCC23O)C2(C)CCC(O)C=C12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.79 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 7 |
| MolWt: | 750.84 | Num_heavy_atoms: | 53 |
| TPSA: | 235.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD52657
Formula: C26H34O6
Smiles:
CC(=O)OC1CC2C(CCC3(C)C(c4ccc(=O)oc4)CCC23O)C2(C)CCC(O)C=C12| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 442.55 | Num_heavy_atoms: | 32 |
| TPSA: | 96.97 | NumAromaticRings: | 1 |
