Glycoside
GD118831
Name:
{[3,4-dihydroxy-2-(2-hydroxyhexacosanamido)octadecyl]oxy}[(4-{[3,4-dihydroxy-5-({hydroxy[(2,3,4,5,6-pentahydroxycyclohexyl)oxy]phosphoryl}oxy)-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,5,6-tetrahydroxycyclohexyl)oxy]phosphinic acidFormula:
C62H121O26NP2Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COP(=O)(O)OC1C(O)C(O)C(OC2OC(CO)C(OP(=O)(O)OC3C(O)C(O)C(O)C(O)C3O)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)CCCCCCCCCCCCCC.O=P(O)(O)OC1C(O)C(O)C(O)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 3 |
| HBD: | 18 | FractionCSP3: | 0.98 |
| AlogP: | 4.95 | Num_rotatable_bonds: | 52 |
| MolWt: | 1358.58 | Num_heavy_atoms: | 91 |
| TPSA: | 466.02 | 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 |
AD47546
Formula: C6H13O9P
Smiles:
O=P(O)(O)OC1C(O)C(O)C(O)C(O)C1O| HBA: | 9 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -3.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 260.13 | Num_heavy_atoms: | 16 |
| TPSA: | 167.91 | NumAromaticRings: | 0 |
