Glycoside
GD015821
Name:
NoneFormula:
C41H58O15N10Smiles:
CC(=O)N[C@H]1[C@H](OCC(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)NCCCCCC(=O)Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)C(N)=O)[C@@H](O)[C@@H](CO)O[C@H]1OCc1ccccc1Aglycone:
CC(NC(=O)CO)C(=O)NC(CCC(=O)NCCCCCC(=O)Nc1ncnc2c1N=C[N]2)C(N)=O.OCc1ccccc1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.59 |
| AlogP: | -3.51 | Num_rotatable_bonds: | 24 |
| MolWt: | 930.97 | Num_heavy_atoms: | 66 |
| TPSA: | 370.26 | NumAromaticRings: | 3 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD11450
Formula: C21H30O6N9
Smiles:
CC(NC(=O)CO)C(=O)NC(CCC(=O)NCCCCCC(=O)Nc1ncnc2c1N=C[N]2)C(N)=O| HBA: | 15 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 15 |
| MolWt: | 504.53 | Num_heavy_atoms: | 36 |
| TPSA: | 231.96 | NumAromaticRings: | 1 |
