Glycoside
GD116385
Name:
2-{[1-(5-ethyl-6-methylhept-3-en-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxyoxan-3-yl tetracosanoateFormula:
C58H102O6Smiles:
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC1C(OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)C=CC(CC)C(C)C)CCC43)C2)OCC(O)C1OAglycone:
CCC(C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C.CCCCCCCCCCCCCCCCCCCCCCCC(=O)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.91 |
| AlogP: | 15.42 | Num_rotatable_bonds: | 30 |
| MolWt: | 895.45 | Num_heavy_atoms: | 64 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD15110
Formula: C29H48O
Smiles:
CCC(C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 7.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 412.7 | Num_heavy_atoms: | 30 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD46206
Formula: C24H48O2
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.96 |
| AlogP: | 8.67 | Num_rotatable_bonds: | 22 |
| MolWt: | 368.65 | Num_heavy_atoms: | 26 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
