Glycoside
GD143253
Name:
1-[4,5-bis(acetyloxy)-4-[4-(acetyloxy)-3b,6,6,9a,11a-pentamethyl-7-oxo-1H,2H,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]oxolan-2-yl]-2-hydroxy-2-methylpropyl acetateFormula:
C38H56O11Smiles:
CC(=O)OC(C1CC(OC(C)=O)(C2CC=C3C2(C)CCC2C4(C)CCC(=O)C(C)(C)C4CC(OC(C)=O)C32C)C(OC(C)=O)O1)C(C)(C)OAglycone:
CC(=O)OC1CC2C(C)(C)C(=O)CCC2(C)C2CCC3(C)CCC=C3C12C.CC(=O)OCC(C)(C)OSugarmoiety:
CC(=O)OC1OC(O)CC1(O)OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.82 |
| AlogP: | 5.38 | Num_rotatable_bonds: | 7 |
| MolWt: | 688.86 | Num_heavy_atoms: | 49 |
| TPSA: | 151.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD46090
Formula: C24H36O3
Smiles:
CC(=O)OC1CC2C(C)(C)C(=O)CCC2(C)C2CCC3(C)CCC=C3C12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 5.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 372.55 | Num_heavy_atoms: | 27 |
| TPSA: | 43.37 | NumAromaticRings: | 0 |
AD57629
Formula: C6H12O3
Smiles:
CC(=O)OCC(C)(C)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 132.16 | Num_heavy_atoms: | 9 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
