Glycoside
GD142366
Name:
1-{[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-(pentadecanoyloxy)propan-2-yl pentadecanoateFormula:
C39H75O9NSmiles:
CCCCCCCCCCCCCCC(=O)OCC(COC1OC(CN)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCSugarmoiety:
NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | 7.41 | Num_rotatable_bonds: | 33 |
| MolWt: | 702.03 | Num_heavy_atoms: | 49 |
| TPSA: | 157.77 | NumAromaticRings: | 0 |
Unique Aglycone
AD57295
Formula: C33H64O5
Smiles:
CCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 9.62 | Num_rotatable_bonds: | 30 |
| MolWt: | 540.87 | Num_heavy_atoms: | 38 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
