Glycoside
GD144700
Name:
NoneFormula:
C45H84O15Smiles:
CCCCCCCCCCCCCCC(=O)OCC(O)COC1OC(COC(=O)CCCCCCCCCCCCCC)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OAglycone:
CCCCCCCCCCCCCCC(=O)OC.CCCCCCCCCCCCCCC(=O)OCC(O)COSugarmoiety:
OCC1OC(OC(O)C(O)C(O)OCC(O)O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.96 |
| AlogP: | 5.26 | Num_rotatable_bonds: | 36 |
| MolWt: | 865.15 | Num_heavy_atoms: | 60 |
| TPSA: | 231.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD50528
Formula: C16H32O2
Smiles:
CCCCCCCCCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.94 |
| AlogP: | 5.25 | Num_rotatable_bonds: | 13 |
| MolWt: | 256.43 | Num_heavy_atoms: | 18 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD51489
Formula: C18H36O4
Smiles:
CCCCCCCCCCCCCCC(=O)OCC(O)CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.94 |
| AlogP: | 3.97 | Num_rotatable_bonds: | 16 |
| MolWt: | 316.48 | Num_heavy_atoms: | 22 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
