Glycoside
GD122047
Name:
2-{4-carbamoyl-4-[2-(2-{[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanamido)propanamido]butanamido}-6-octadecanamidohexanoic acidFormula:
C43H78O13N6Smiles:
CCCCCCCCCCCCCCCCCC(O)=NCCCCC(N=C(O)CCC(N=C(O)C(C)N=C(O)C(C)OC1C(O)C(CO)OC(O)C1N=C(C)O)C(=N)O)C(=O)OAglycone:
CCCCCCCCCCCCCCCCCC(O)=NCCCCC(N=C(O)CCC(N=C(O)C(C)N=C(O)C(C)O)C(=N)O)C(=O)OSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 1 |
| HBD: | 11 | FractionCSP3: | 0.84 |
| AlogP: | 6.96 | Num_rotatable_bonds: | 35 |
| MolWt: | 887.13 | Num_heavy_atoms: | 62 |
| TPSA: | 323.48 | NumAromaticRings: | 0 |
Unique Aglycone
AD49158
Formula: C35H65O8N5
Smiles:
CCCCCCCCCCCCCCCCCC(O)=NCCCCC(N=C(O)CCC(N=C(O)C(C)N=C(O)C(C)O)C(=N)O)C(=O)O| HBA: | 13 | RingCount: | 0 |
| HBD: | 8 | FractionCSP3: | 0.83 |
| AlogP: | 8.15 | Num_rotatable_bonds: | 31 |
| MolWt: | 683.93 | Num_heavy_atoms: | 48 |
| TPSA: | 231.97 | NumAromaticRings: | 0 |
