Glycoside
GD033068
Name:
NoneFormula:
C40H59O21N9P2Smiles:
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)NCCOCCOCCOCCOCCOCCOCCOCCC(=O)Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)NCCOCCOCCOCCOCCOCCOCCOCCC(=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: | 30 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.62 |
| AlogP: | -1.95 | Num_rotatable_bonds: | 33 |
| MolWt: | 1063.9 | Num_heavy_atoms: | 72 |
| TPSA: | 404.56 | 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 |
AD21133
Formula: C31H50O17N4P2
Smiles:
COP(=O)(O)OP(=O)(O)NCCOCCOCCOCCOCCOCCOCCOCCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O| HBA: | 21 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 30 |
| MolWt: | 812.7 | Num_heavy_atoms: | 54 |
| TPSA: | 265.28 | NumAromaticRings: | 1 |
