Glycoside
GD032166
Name:
NoneFormula:
C13H21O13N4P3SSmiles:
CCCCSc1ncnc2c1ncn2C1O[C@H](OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
CCCCSc1ncnc2c1N=C[N]2.O=P(O)(O)OP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 11 |
| MolWt: | 566.32 | Num_heavy_atoms: | 34 |
| TPSA: | 253.11 | NumAromaticRings: | 2 |
Unique Aglycone
AD00437
Formula: H5O10P3
Smiles:
O=P(O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 257.95 | Num_heavy_atoms: | 13 |
| TPSA: | 170.82 | NumAromaticRings: | 0 |
AD02483
Formula: C9H11N4S
Smiles:
CCCCSc1ncnc2c1N=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.44 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 207.28 | Num_heavy_atoms: | 14 |
| TPSA: | 52.24 | NumAromaticRings: | 1 |
