Glycoside
GD117250
Name:
3-{[3-amino-6-({[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-4,5-dihydroxyoxan-2-yl]oxy}-4,5-dihydroxy-6-{[3-hydroxy-2-(2-hydroxytetradecanamido)icos-13-en-1-yl]oxy}oxane-2-carboxylic acidFormula:
C58H106O24N2Smiles:
CCCCCCC=CCCCCCCCCCC(O)C(COC1OC(C(=O)O)C(OC2OC(COC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2N)C(O)C1O)N=C(O)C(O)CCCCCCCCCCCCAglycone:
CCCCCCC=CCCCCCCCCCC(O)C(CO)N=C(O)C(O)CCCCCCCCCCCCSugarmoiety:
NC1C(OC2C(C(=O)O)OC(O)C(O)C2O)OC(COC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 4 |
| HBD: | 17 | FractionCSP3: | 0.93 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 42 |
| MolWt: | 1215.48 | Num_heavy_atoms: | 84 |
| TPSA: | 432.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD46720
Formula: C34H67O4N
Smiles:
CCCCCCC=CCCCCCCCCCC(O)C(CO)N=C(O)C(O)CCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 9.37 | Num_rotatable_bonds: | 30 |
| MolWt: | 553.91 | Num_heavy_atoms: | 39 |
| TPSA: | 93.28 | NumAromaticRings: | 0 |
Sugarmoiety
SD05020
NC1C(OC2C(C(=O)O)OC(O)C(O)C2O)OC(COC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O