Glycoside
GD147315
Name:
2-{[1-(5-ethyl-6-methylheptan-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}-6-[(tridecyloxy)methyl]oxane-3,4,5-triolFormula:
C48H86O6Smiles:
CCCCCCCCCCCCCOCC1OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)CCC(CC)C(C)C)CCC43)C2)C(O)C(O)C1OAglycone:
CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C.CCCCCCCCCCCCCOCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.96 |
| AlogP: | 11.18 | Num_rotatable_bonds: | 22 |
| MolWt: | 759.21 | Num_heavy_atoms: | 54 |
| TPSA: | 88.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD01460
Formula: C29H50O
Smiles:
CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 8.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 414.72 | Num_heavy_atoms: | 30 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD59003
Formula: C14H30O
Smiles:
CCCCCCCCCCCCCOC| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 4.94 | Num_rotatable_bonds: | 12 |
| MolWt: | 214.39 | Num_heavy_atoms: | 15 |
| TPSA: | 9.23 | NumAromaticRings: | 0 |
