Glycoside
GD033217
Name:
NoneFormula:
C18H28O8N5PSmiles:
COCc1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](COCP(=O)(O)O)[C@H](O)[C@H]3O)c2n1Aglycone:
COCP(=O)(O)O.COCc1nc2c(c(NC3CCCC3)n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.72 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 9 |
| MolWt: | 473.42 | Num_heavy_atoms: | 32 |
| TPSA: | 181.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD01581
Formula: C2H7O4P
Smiles:
COCP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 126.05 | Num_heavy_atoms: | 7 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD21218
Formula: C12H16ON5
Smiles:
COCc1nc2c(c(NC3CCCC3)n1)N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 246.29 | Num_heavy_atoms: | 18 |
| TPSA: | 73.5 | NumAromaticRings: | 1 |
