Glycoside
GD118446
Name:
2-{6-amino-2-[3-(aminooxy)-2-(2-{2-[(3-acetamido-5-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]propanamido}propanamido)propanamido]hexanamido}propanoic acidFormula:
C34H60O18N8Smiles:
CC(O)=NC1C(OC2C(CO)OC(O)C(N=C(C)O)C2OC(C)C(O)=NC(C)C(O)=NC(CON)C(O)=NC(CCCCN)C(O)=NC(C)C(=O)O)OC(CO)C(O)C1OAglycone:
CC(O)C(O)=NC(C)C(O)=NC(CON)C(O)=NC(CCCCN)C(O)=NC(C)C(=O)OSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 2 |
| HBD: | 16 | FractionCSP3: | 0.79 |
| AlogP: | -2.57 | Num_rotatable_bonds: | 23 |
| MolWt: | 868.89 | Num_heavy_atoms: | 60 |
| TPSA: | 432.18 | NumAromaticRings: | 0 |
Unique Aglycone
AD47361
Formula: C18H34O8N6
Smiles:
CC(O)C(O)=NC(C)C(O)=NC(CON)C(O)=NC(CCCCN)C(O)=NC(C)C(=O)O| HBA: | 14 | RingCount: | 0 |
| HBD: | 10 | FractionCSP3: | 0.72 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 15 |
| MolWt: | 462.5 | Num_heavy_atoms: | 32 |
| TPSA: | 249.16 | NumAromaticRings: | 0 |
