Glycoside
GD015614
Name:
NoneFormula:
C28H23O7N4PSSmiles:
O=P(O)(O)OC[C@@H]1O[C@H](n2cnc3c(-c4cccc(-c5cccc6c5sc5ccccc56)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2-c2cccc(-c3cccc4c3sc3ccccc34)c2)[N]1.COP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.18 |
| AlogP: | 4.26 | Num_rotatable_bonds: | 6 |
| MolWt: | 590.55 | Num_heavy_atoms: | 41 |
| TPSA: | 160.05 | NumAromaticRings: | 6 |
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 |
AD11330
Formula: C23H13N4S
Smiles:
C1=Nc2c(ncnc2-c2cccc(-c3cccc4c3sc3ccccc34)c2)[N]1| HBA: | 4 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 6.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 377.45 | Num_heavy_atoms: | 28 |
| TPSA: | 52.24 | NumAromaticRings: | 5 |
