Glycoside
GD037333
Name:
NoneFormula:
C33H40O13N10SSmiles:
Nc1nc2c(ncn2[C@@H]2O[C@H](COS(=O)(=O)NC(=O)CCC(=O)NCCCCCC(=O)Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COS(=O)(=O)NC(=O)CCC(=O)NCCCCCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.48 |
| AlogP: | -2.44 | Num_rotatable_bonds: | 16 |
| MolWt: | 816.81 | Num_heavy_atoms: | 57 |
| TPSA: | 336.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD19331
Formula: C24H31O9N5S
Smiles:
COS(=O)(=O)NC(=O)CCC(=O)NCCCCCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O| HBA: | 14 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 13 |
| MolWt: | 565.61 | Num_heavy_atoms: | 39 |
| TPSA: | 197.15 | NumAromaticRings: | 1 |
