Glycoside
GD003483
Name:
NoneFormula:
C14H16O8N3PSmiles:
Cc1ncnc2c1c1occc1n2[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)O.Cc1ncnc2c1-c1occc1[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 385.27 | Num_heavy_atoms: | 26 |
| TPSA: | 160.3 | 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 |
AD03171
Formula: C9H6ON3
Smiles:
Cc1ncnc2c1-c1occc1[N]2| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 172.17 | Num_heavy_atoms: | 13 |
| TPSA: | 53.02 | NumAromaticRings: | 2 |
