Glycoside
GD157276
Name:
{[3,4-dihydroxy-2-(2-hydroxyhexacosanamido)octadecyl]oxy}[(2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)oxy]phosphinic acidFormula:
C56H110O18NPSmiles:
CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COP(=O)(O)OC1C(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 2 |
| HBD: | 13 | FractionCSP3: | 0.98 |
| AlogP: | 7.62 | Num_rotatable_bonds: | 48 |
| MolWt: | 1116.46 | Num_heavy_atoms: | 76 |
| TPSA: | 329.34 | NumAromaticRings: | 0 |
Unique Aglycone
AD47545
Formula: C50H100O13NP
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC| HBA: | 14 | RingCount: | 1 |
| HBD: | 10 | FractionCSP3: | 0.98 |
| AlogP: | 9.8 | Num_rotatable_bonds: | 45 |
| MolWt: | 954.32 | Num_heavy_atoms: | 65 |
| TPSA: | 250.19 | NumAromaticRings: | 0 |
