Glycoside
GD119928
Name:
4,5-bis(hexadecyloxy)-3-hydroxyoxan-2-yl 10-(hexadecyloxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateFormula:
C83H152O7Smiles:
CCCCCCCCCCCCCCCCOC1COC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OCCCCCCCCCCCCCCCC)C(C)(C)C5CCC4(C)C2(C)CC3)C(O)C1OCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCO.CCCCCCCCCCCCCCCCO.CCCCCCCCCCCCCCCCOC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C(=O)O)CCC23C)C1(C)CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.96 |
| AlogP: | 24.65 | Num_rotatable_bonds: | 50 |
| MolWt: | 1262.12 | Num_heavy_atoms: | 90 |
| TPSA: | 83.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD01052
Formula: C16H34O
Smiles:
CCCCCCCCCCCCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 5.46 | Num_rotatable_bonds: | 14 |
| MolWt: | 242.45 | Num_heavy_atoms: | 17 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD48128
Formula: C46H80O3
Smiles:
CCCCCCCCCCCCCCCCOC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C(=O)O)CCC23C)C1(C)C| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 13.74 | Num_rotatable_bonds: | 17 |
| MolWt: | 681.14 | Num_heavy_atoms: | 49 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
