Glycoside
GD033125
Name:
NoneFormula:
C20H33O14N5P2S3Smiles:
C=CS(=O)(=O)CCCCCCS(=O)(=O)CCSc1nc2c(N)ncnc2n1C1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
C=CS(=O)(=O)CCCCCCS(=O)(=O)CCSC1=Nc2c(N)ncnc2[N]1.COP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 18 |
| MolWt: | 725.65 | Num_heavy_atoms: | 44 |
| TPSA: | 300.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD21171
Formula: C15H22O4N5S3
Smiles:
C=CS(=O)(=O)CCCCCCS(=O)(=O)CCSC1=Nc2c(N)ncnc2[N]1| HBA: | 9 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 11 |
| MolWt: | 432.57 | Num_heavy_atoms: | 27 |
| TPSA: | 146.54 | NumAromaticRings: | 1 |
