Glycoside
GD119053
Name:
1-acetyl-10-(acetyloxy)-3a-hydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl 3-methylbutanoateFormula:
C35H54O10Smiles:
COC1CC(OC2CCC3(C)C(=CCC4C3C(OC(C)=O)C(OC(=O)CC(C)C)C3(C)C(C(C)=O)CCC43O)C2)OC(C)C1OAglycone:
CC(=O)OC1C2C(CC=C3CC(O)CCC32C)C2(O)CCC(C(C)=O)C2(C)C1OC(=O)CC(C)CSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 4.27 | Num_rotatable_bonds: | 8 |
| MolWt: | 634.81 | Num_heavy_atoms: | 45 |
| TPSA: | 137.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD10330
Formula: C28H42O7
Smiles:
CC(=O)OC1C2C(CC=C3CC(O)CCC32C)C2(O)CCC(C(C)=O)C2(C)C1OC(=O)CC(C)C| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 490.64 | Num_heavy_atoms: | 35 |
| TPSA: | 110.13 | NumAromaticRings: | 0 |
