Glycoside
GD140502
Name:
35-O-Phenylacetyl Bacteriohopanetetrol TriacetateFormula:
C49H74O8Smiles:
CC(=O)OC(CCC(C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C)C(OC(C)=O)C(COC(=O)Cc1ccccc1)OC(C)=OAglycone:
CCC(C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C.O=CCc1ccccc1Sugarmoiety:
CC(=O)OC(O)C(OC(C)=O)C(COO)OC(C)=OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 10.48 | Num_rotatable_bonds: | 13 |
| MolWt: | 791.12 | Num_heavy_atoms: | 57 |
| TPSA: | 105.2 | NumAromaticRings: | 1 |
Unique Aglycone
AD09499
Formula: C31H54
Smiles:
CCC(C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C| HBA: | 0 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 9.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 426.77 | Num_heavy_atoms: | 31 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
AD47511
Formula: C8H8O
Smiles:
O=CCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 120.15 | Num_heavy_atoms: | 9 |
| TPSA: | 17.07 | NumAromaticRings: | 1 |
