Glycoside
GD033435
Name:
NoneFormula:
C42H74O9N18Smiles:
N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCCCNC(=O)[C@H](CCCCN)NC(=O)CCCCCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)C(N)=OAglycone:
N=C(N)NCCCC(NC(=O)C(CCCNC(=N)N)NC(=O)CCCCCCCNC(=O)C(CCCCN)NC(=O)CCCCCNC=O)C(N)=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 3 |
| HBD: | 21 | FractionCSP3: | 0.69 |
| AlogP: | -3.24 | Num_rotatable_bonds: | 34 |
| MolWt: | 975.17 | Num_heavy_atoms: | 69 |
| TPSA: | 457.72 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD21337
Formula: C33H65O6N13
Smiles:
N=C(N)NCCCC(NC(=O)C(CCCNC(=N)N)NC(=O)CCCCCCCNC(=O)C(CCCCN)NC(=O)CCCCCNC=O)C(N)=O| HBA: | 19 | RingCount: | 0 |
| HBD: | 17 | FractionCSP3: | 0.76 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 33 |
| MolWt: | 739.97 | Num_heavy_atoms: | 52 |
| TPSA: | 338.41 | NumAromaticRings: | 0 |
