Glycoside
GD139717
Name:
2-[(5-{[3-(2-amino-5-carbamimidamidopentanamido)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3,5,6-trihydroxy-4-(5-iminopyrrolidine-2-amido)cyclohexyl carbamateFormula:
C30H53O17N9Smiles:
N=C(N)NCCCC(N)C(O)=NC1C(OC2C(CO)OC(OC3C(O)C(N=C(O)C4CCC(=N)N4)C(O)C(O)C3OC(=N)O)C(O)C2O)OC(CO)C(O)C1OAglycone:
N=C(N)NCCCC(N)C(=N)O.N=C1CCC(C(O)=NC2C(O)C(O)C(OC(=N)O)C(O)C2O)N1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 4 |
| HBD: | 21 | FractionCSP3: | 0.83 |
| AlogP: | -7.42 | Num_rotatable_bonds: | 15 |
| MolWt: | 811.8 | Num_heavy_atoms: | 56 |
| TPSA: | 461.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD54407
Formula: C12H20O7N4
Smiles:
N=C1CCC(C(O)=NC2C(O)C(O)C(OC(=N)O)C(O)C2O)N1| HBA: | 11 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.75 |
| AlogP: | -2.62 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.31 | Num_heavy_atoms: | 23 |
| TPSA: | 202.7 | NumAromaticRings: | 0 |
AD56340
Formula: C6H15ON5
Smiles:
N=C(N)NCCCC(N)C(=N)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 8 | FractionCSP3: | 0.67 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 173.22 | Num_heavy_atoms: | 12 |
| TPSA: | 132.0 | NumAromaticRings: | 0 |
