Glycoside
GD147342
Name:
2-{[1,7-dihydroxy-9a,11a-dimethyl-1-(6-methyl-3-oxoheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl]oxy}-5-hydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl acetateFormula:
C39H62O13Smiles:
CC(=O)OC1C(OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2(O)C(C)C(=O)CCC(C)C)OCC(O)C1OC1OCC(O)C(O)C1OAglycone:
CC(C)CCC(=O)C(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21CSugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 10 |
| MolWt: | 738.91 | Num_heavy_atoms: | 52 |
| TPSA: | 201.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD01328
Formula: C27H44O4
Smiles:
CC(C)CCC(=O)C(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 4.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
