Glycoside
GD154786
Name:
(6-{[1-(5-ethyl-6-methylhept-3-en-2-yl)-9a,11a-dimethyl-4-oxo-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl hexadecanoateFormula:
C51H86O8Smiles:
CCCCCCCCCCCCCCCC(=O)OCC1OC(OC2CCC3(C)C(=CC(=O)C4C3CCC3(C)C(C(C)C=CC(CC)C(C)C)CCC43)C2)C(O)C(O)C1OAglycone:
CCC(C=CC(C)C1CCC2C3C(=O)C=C4CC(O)CCC4(C)C3CCC12C)C(C)C.CCCCCCCCCCCCCCCC(=O)OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 10.84 | Num_rotatable_bonds: | 23 |
| MolWt: | 827.24 | Num_heavy_atoms: | 59 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD03475
Formula: C17H34O2
Smiles:
CCCCCCCCCCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.94 |
| AlogP: | 5.64 | Num_rotatable_bonds: | 14 |
| MolWt: | 270.46 | Num_heavy_atoms: | 19 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD46514
Formula: C29H46O2
Smiles:
CCC(C=CC(C)C1CCC2C3C(=O)C=C4CC(O)CCC4(C)C3CCC12C)C(C)C| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 6.98 | Num_rotatable_bonds: | 5 |
| MolWt: | 426.69 | Num_heavy_atoms: | 31 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
