Glycoside
GD116426
Name:
[3-(hexadec-7-enoyloxy)-2-(icosanoyloxy)propoxy]({[3,4,5-trihydroxy-2,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})cyclohexyl]oxy})phosphinic acidFormula:
C57H105O23PSmiles:
CCCCCCCCC=CCCCCCC(=O)OCC(COP(=O)(O)OC1C(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCC=CCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.93 |
| AlogP: | 4.71 | Num_rotatable_bonds: | 45 |
| MolWt: | 1189.42 | Num_heavy_atoms: | 81 |
| TPSA: | 367.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD46227
Formula: C45H85O13P
Smiles:
CCCCCCCCC=CCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCCCCC| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 9.06 | Num_rotatable_bonds: | 39 |
| MolWt: | 865.14 | Num_heavy_atoms: | 59 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
