Glycoside
GD143462
Name:
[3a-hydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-7-[(3,4,6-trihydroxy-5-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-9a-yl]methyl acetateFormula:
C36H52O17Smiles:
CC(=O)OCC12CCC(OC3OC(O)C(OC4(O)OC(CO)C(O)C(O)C4O)C(O)C3O)CC1CC=C1C2CCC2(C)C(C3=CC(=O)OC3)CCC12OAglycone:
CC(=O)OCC12CCC(O)CC1CC=C1C2CCC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
OCC1OC(O)(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.83 |
| AlogP: | -2.01 | Num_rotatable_bonds: | 8 |
| MolWt: | 756.79 | Num_heavy_atoms: | 53 |
| TPSA: | 271.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD57697
Formula: C25H34O6
Smiles:
CC(=O)OCC12CCC(O)CC1CC=C1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | 3.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 430.54 | Num_heavy_atoms: | 31 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
