Glycoside
GD148512
Name:
1-[1-(acetyloxy)ethyl]-1,3a-dihydroxy-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 2-methylbut-2-enoateFormula:
C35H54O10Smiles:
CC=C(C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(O)C(C)O4)CCC32C)C2(O)CCC(O)(C(C)OC(C)=O)C12CAglycone:
CC=C(C)C(=O)OC1CC2C(CC=C3CC(O)CCC32C)C2(O)CCC(O)(C(C)OC(C)=O)C12CSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 4.13 | Num_rotatable_bonds: | 7 |
| MolWt: | 634.81 | Num_heavy_atoms: | 45 |
| TPSA: | 140.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD59427
Formula: C28H42O7
Smiles:
CC=C(C)C(=O)OC1CC2C(CC=C3CC(O)CCC32C)C2(O)CCC(O)(C(C)OC(C)=O)C12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.79 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 490.64 | Num_heavy_atoms: | 35 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
