Glycoside
GD015673
Name:
NoneFormula:
C38H54O15N10Smiles:
CC(=O)N[C@H]1[C@H](O[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](CCC(=O)NCCNc2ncnc3c2ncn3[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(O)C(=O)NC(CO)C(=O)NC(CCC(=O)NCCNc1ncnc2c1N=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: | 13 | FractionCSP3: | 0.58 |
| AlogP: | -5.23 | Num_rotatable_bonds: | 22 |
| MolWt: | 890.91 | Num_heavy_atoms: | 63 |
| TPSA: | 373.42 | 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 |
AD11362
Formula: C18H26O6N9
Smiles:
CC(O)C(=O)NC(CO)C(=O)NC(CCC(=O)NCCNc1ncnc2c1N=C[N]2)C(N)=O| HBA: | 15 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -3.48 | Num_rotatable_bonds: | 13 |
| MolWt: | 464.46 | Num_heavy_atoms: | 33 |
| TPSA: | 235.12 | NumAromaticRings: | 1 |
