Glycoside
GD140521
Name:
1-(icos-11-enoyloxy)-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propan-2-yl icos-11-enoateFormula:
C55H100O15Smiles:
CCCCCCCCC=CCCCCCCCCCC(=O)OCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)CCCCCCCCCC=CCCCCCCCCAglycone:
CCCCCCCCC=CCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCC=CCCCCCCCCSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 8.72 | Num_rotatable_bonds: | 44 |
| MolWt: | 1001.39 | Num_heavy_atoms: | 70 |
| TPSA: | 231.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD50682
Formula: C43H80O5
Smiles:
CCCCCCCCC=CCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCC=CCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 13.07 | Num_rotatable_bonds: | 38 |
| MolWt: | 677.11 | Num_heavy_atoms: | 48 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
