Glycoside
GD012481
Name:
NoneFormula:
C36H62O8N16Smiles:
N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCCCNC(=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)CCCCCNC=O)C(N)=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 3 |
| HBD: | 18 | FractionCSP3: | 0.67 |
| AlogP: | -2.86 | Num_rotatable_bonds: | 28 |
| MolWt: | 847.0 | Num_heavy_atoms: | 60 |
| TPSA: | 402.6 | 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 |
AD09405
Formula: C27H53O5N11
Smiles:
N=C(N)NCCCC(NC(=O)C(CCCNC(=N)N)NC(=O)CCCCCCCNC(=O)CCCCCNC=O)C(N)=O| HBA: | 16 | RingCount: | 0 |
| HBD: | 14 | FractionCSP3: | 0.74 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 27 |
| MolWt: | 611.79 | Num_heavy_atoms: | 43 |
| TPSA: | 283.29 | NumAromaticRings: | 0 |
