Glycoside
GD139648
Name:
S361AFormula:
C47H88O15Smiles:
CCC(C)CCCCCCCCCCCCC(=O)OCC(O)COC1OC(COC(=O)CCCCCCCCCCC(C)CC)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OAglycone:
CCC(C)CCCCCCCCCCC(=O)OC.CCC(C)CCCCCCCCCCCCC(=O)OCC(O)COSugarmoiety:
OCC1OC(OC2C(O)C(O)OC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.96 |
| AlogP: | 5.76 | Num_rotatable_bonds: | 36 |
| MolWt: | 893.21 | Num_heavy_atoms: | 62 |
| TPSA: | 231.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD18961
Formula: C16H32O2
Smiles:
CCC(C)CCCCCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.94 |
| AlogP: | 5.11 | Num_rotatable_bonds: | 12 |
| MolWt: | 256.43 | Num_heavy_atoms: | 18 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD56312
Formula: C20H40O4
Smiles:
CCC(C)CCCCCCCCCCCCC(=O)OCC(O)CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.95 |
| AlogP: | 4.61 | Num_rotatable_bonds: | 17 |
| MolWt: | 344.54 | Num_heavy_atoms: | 24 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
