Glycoside
GD035945
Name:
NoneFormula:
C29H37O14N9P2Smiles:
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)NCCCCCC(=O)Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)OP(=O)(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: | 10 | FractionCSP3: | 0.48 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 15 |
| MolWt: | 797.61 | Num_heavy_atoms: | 54 |
| TPSA: | 339.95 | 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 |
AD22713
Formula: C20H28O10N4P2
Smiles:
COP(=O)(O)OP(=O)(O)NCCCCCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 12 |
| MolWt: | 546.41 | Num_heavy_atoms: | 36 |
| TPSA: | 200.67 | NumAromaticRings: | 1 |
