Glycoside
GD032087
Name:
NoneFormula:
C39H66O9N16Smiles:
N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1CCCN(CC[C@H](N)C(=O)O)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)C(N)=OAglycone:
CN(CCCN1CCCC1C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(N)=O)CCC(N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 5 |
| HBD: | 17 | FractionCSP3: | 0.72 |
| AlogP: | -4.18 | Num_rotatable_bonds: | 25 |
| MolWt: | 903.06 | Num_heavy_atoms: | 64 |
| TPSA: | 398.63 | 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 |
AD20605
Formula: C30H57O6N11
Smiles:
CN(CCCN1CCCC1C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(N)=O)CCC(N)C(=O)O| HBA: | 17 | RingCount: | 2 |
| HBD: | 13 | FractionCSP3: | 0.8 |
| AlogP: | -2.59 | Num_rotatable_bonds: | 22 |
| MolWt: | 667.86 | Num_heavy_atoms: | 47 |
| TPSA: | 279.32 | NumAromaticRings: | 0 |
