Glycoside
GD150425
Name:
(6-{[1-(5-ethyl-6-methylheptan-2-yl)-3a,9a,11a-trimethyl-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 tetratetracontanoateFormula:
C80H148O7Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC1OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)CCC(CC)C(C)C)CCC43C)C2)C(O)C(O)C1OAglycone:
CCC(CCC(C)C1CCC2(C)C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C.CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.96 |
| AlogP: | 23.19 | Num_rotatable_bonds: | 52 |
| MolWt: | 1222.06 | Num_heavy_atoms: | 87 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD18718
Formula: C30H52O
Smiles:
CCC(CCC(C)C1CCC2(C)C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 8.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 428.75 | Num_heavy_atoms: | 31 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD60089
Formula: C45H90O2
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.98 |
| AlogP: | 16.56 | Num_rotatable_bonds: | 42 |
| MolWt: | 663.21 | Num_heavy_atoms: | 47 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
