Glycoside
GD144779
Name:
2-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-(pentadecanoyloxy)propyl pentadecanoateFormula:
C45H84O15Smiles:
CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
CCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)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
AD58155
Formula: C33H64O5
Smiles:
CCCCCCCCCCCCCCC(=O)OCC(O)COC(=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 |
