Glycoside
GD032129
Name:
NoneFormula:
C17H18O7N3PSmiles:
O=P(O)(O)OC[C@@H]1O[C@H](n2cc(-c3cccc4ccccc34)nn2)[C@H](O)[C@H]1OAglycone:
C1=C(c2cccc3ccccc23)N=N[N]1.COP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 407.32 | Num_heavy_atoms: | 28 |
| TPSA: | 147.16 | NumAromaticRings: | 3 |
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 |
AD04315
Formula: C12H8N3
Smiles:
C1=C(c2cccc3ccccc23)N=N[N]1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 1 |
| MolWt: | 194.22 | Num_heavy_atoms: | 15 |
| TPSA: | 38.82 | NumAromaticRings: | 2 |
