Glycoside
GD144197
Name:
2-(2-aminoacetamido)-6-[4-carbamoyl-4-(2-{2-[(3-acetamido-5-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxy-6-(hydroxymethyl)oxan-4-yl)methyl]propanamido}propanamido)butanamido]-6-[(1-carboxyethyl)carbamoyl]hexanoic acidFormula:
C40H67O20N9Smiles:
CC(O)=NC1C(OC2C(CO)OC(O)C(N=C(C)O)C2CC(C)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCC(N=C(O)CN)C(=O)O)C(O)=NC(C)C(=O)O)C(=N)O)OC(CO)C(O)C1OAglycone:
CC(O)=NC1C(O)OC(CO)C(O)C1CC(C)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCC(N=C(O)CN)C(=O)O)C(O)=NC(C)C(=O)O)C(=N)OSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 29 | RingCount: | 2 |
| HBD: | 18 | FractionCSP3: | 0.75 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 27 |
| MolWt: | 994.02 | Num_heavy_atoms: | 69 |
| TPSA: | 501.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD57960
Formula: C32H54O15N8
Smiles:
CC(O)=NC1C(O)OC(CO)C(O)C1CC(C)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCC(N=C(O)CN)C(=O)O)C(O)=NC(C)C(=O)O)C(=N)O| HBA: | 23 | RingCount: | 1 |
| HBD: | 15 | FractionCSP3: | 0.72 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 23 |
| MolWt: | 790.83 | Num_heavy_atoms: | 55 |
| TPSA: | 410.16 | NumAromaticRings: | 0 |
