Glycoside
GD029440
Name:
NoneFormula:
C10H15O8N2PSmiles:
CCc1cn([C@@H]2C[C@H](O)[C@H](OP(=O)(O)O)O2)c(=O)[nH]c1=OAglycone:
CCc1c[nH]c(=O)[nH]c1=O.O=P(O)(O)OSugarmoiety:
OC1CC(O)C(O)O1Other Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 322.21 | Num_heavy_atoms: | 21 |
| TPSA: | 151.08 | NumAromaticRings: | 1 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
AD11214
Formula: C6H8O2N2
Smiles:
CCc1c[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 1 |
| MolWt: | 140.14 | Num_heavy_atoms: | 10 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
