Glycoside
GD000836
Name:
NoneFormula:
C25H47O12NSmiles:
CCCCCCCCOC1OC(COCC(O)CO)C(O)C(OC2OC(C)C(O)C(O)C2O)C1NC(C)=OAglycone:
CCCCCCCCO.COCC(O)COSugarmoiety:
CC(=O)NC(O)OOC1OC(C)C(O)C(O)C1O.OCOCC(O)COOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.96 |
| AlogP: | -1.46 | Num_rotatable_bonds: | 16 |
| MolWt: | 553.65 | Num_heavy_atoms: | 38 |
| TPSA: | 196.63 | NumAromaticRings: | 0 |
Unique Aglycone
AD00023
Formula: C8H18O
Smiles:
CCCCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 130.23 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD00404
Formula: C4H10O3
Smiles:
COCC(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 106.12 | Num_heavy_atoms: | 7 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
