Glycoside
GD118414
Name:
[2-(icosanoyloxy)-3-(nonadecanoyloxy)propoxy]({[3,4,5-trihydroxy-2,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})cyclohexyl]oxy})phosphinic acidFormula:
C60H113O23PSmiles:
CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.97 |
| AlogP: | 6.1 | Num_rotatable_bonds: | 49 |
| MolWt: | 1233.52 | Num_heavy_atoms: | 84 |
| TPSA: | 367.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD47342
Formula: C48H93O13P
Smiles:
CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.96 |
| AlogP: | 10.45 | Num_rotatable_bonds: | 43 |
| MolWt: | 909.23 | Num_heavy_atoms: | 62 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
