Glycoside
GD120644
Name:
2-{6-amino-2-[4-carbamoyl-4-(2-{2-[(3-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-(ethylamino)-6-hydroxy-2-(hydroxymethyl)oxan-4-yl)oxy]propanamido}propanamido)butanamido]hexanamido}propanoic acidFormula:
C36H64O17N8Smiles:
CCNC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C1OC(C)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCCN)C(O)=NC(C)C(=O)O)C(=N)OAglycone:
CC(O)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCCN)C(O)=NC(C)C(=O)O)C(=N)OSugarmoiety:
CCNC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 2 |
| HBD: | 16 | FractionCSP3: | 0.81 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 25 |
| MolWt: | 880.95 | Num_heavy_atoms: | 61 |
| TPSA: | 420.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD48492
Formula: C20H36O8N6
Smiles:
CC(O)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCCN)C(O)=NC(C)C(=O)O)C(=N)O| HBA: | 14 | RingCount: | 0 |
| HBD: | 10 | FractionCSP3: | 0.7 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 16 |
| MolWt: | 488.54 | Num_heavy_atoms: | 34 |
| TPSA: | 257.99 | NumAromaticRings: | 0 |
