Glycoside
GD151624
Name:
3,4,5-trihydroxyoxan-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:
C51H86O8Smiles:
CCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C(=O)OC4OCC(O)C(O)C4O)CCC23C)C1(C)CAglycone:
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: | 8 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.92 |
| AlogP: | 11.16 | Num_rotatable_bonds: | 17 |
| MolWt: | 827.24 | Num_heavy_atoms: | 59 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
Unique Aglycone
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 |
