Glycoside
GD144239
Name:
6-{[3a,6,6,9a,11a-pentamethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl icosanoateFormula:
C56H100O7Smiles:
CCCCCCCCCCCCCCCCCCCC(=O)OC1C(CO)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43C)C2(C)C)C(O)C1OAglycone:
CC(C)CCCC(C)C1CCC2(C)C3CC=C4C(C)(C)C(O)CCC4(C)C3CCC12C.CCCCCCCCCCCCCCCCCCCC(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.95 |
| AlogP: | 13.83 | Num_rotatable_bonds: | 27 |
| MolWt: | 885.41 | Num_heavy_atoms: | 63 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD12732
Formula: C20H40O2
Smiles:
CCCCCCCCCCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.95 |
| AlogP: | 7.11 | Num_rotatable_bonds: | 18 |
| MolWt: | 312.54 | Num_heavy_atoms: | 22 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD57979
Formula: C30H52O
Smiles:
CC(C)CCCC(C)C1CCC2(C)C3CC=C4C(C)(C)C(O)CCC4(C)C3CCC12C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 8.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 428.75 | Num_heavy_atoms: | 31 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
