Glycoside
GD157828
Name:
3,5-bis(hexadecanoyloxy)-4-hydroxyoxan-2-yl 10-(hexadecanoyloxy)-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:
C83H146O10Smiles:
CCCCCCCCCCCCCCCC(=O)OC1COC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC(=O)CCCCCCCCCCCCCCC)C(C)(C)C5CCC4(C)C2(C)CC3)C(OC(=O)CCCCCCCCCCCCCCC)C1OAglycone:
CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C(=O)O)CCC23C)C1(C)CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 23.23 | Num_rotatable_bonds: | 47 |
| MolWt: | 1304.07 | Num_heavy_atoms: | 93 |
| TPSA: | 134.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD00263
Formula: C16H32O2
Smiles:
CCCCCCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 5.55 | Num_rotatable_bonds: | 14 |
| MolWt: | 256.43 | Num_heavy_atoms: | 18 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD60445
Formula: C46H78O4
Smiles:
CCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C(=O)O)CCC23C)C1(C)C| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.91 |
| AlogP: | 13.27 | Num_rotatable_bonds: | 16 |
| MolWt: | 695.13 | Num_heavy_atoms: | 50 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
