Glycoside
GD124127
Name:
2-(tetradecanoyloxy)-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propyl hexadec-9-enoateFormula:
C45H82O15Smiles:
CCCCCCC=CCCCCCCCC(=O)OCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCAglycone:
CCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | 5.04 | Num_rotatable_bonds: | 35 |
| MolWt: | 863.14 | Num_heavy_atoms: | 60 |
| TPSA: | 231.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD50121
Formula: C33H62O5
Smiles:
CCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 9.39 | Num_rotatable_bonds: | 29 |
| MolWt: | 538.85 | Num_heavy_atoms: | 38 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
