Glycoside
GD135019
Name:
Psi-UmpFormula:
C9H13O9N2PSmiles:
O=P(O)(O)OCC1OC(c2cnc(O)nc2O)C(O)C1OAglycone:
COP(=O)(O)O.Oc1ccnc(O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -1.84 | Num_rotatable_bonds: | 4 |
| MolWt: | 324.18 | Num_heavy_atoms: | 21 |
| TPSA: | 182.69 | NumAromaticRings: | 1 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD50311
Formula: C4H4O2N2
Smiles:
Oc1ccnc(O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 66.24 | NumAromaticRings: | 1 |
