Glycoside
GD035015
Name:
NoneFormula:
C12H20O11N2P2SSmiles:
CCCSc1nc(=O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
CCCSC1=NC(=O)C=C[N]1.COP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 9 |
| MolWt: | 462.31 | Num_heavy_atoms: | 28 |
| TPSA: | 197.87 | NumAromaticRings: | 1 |
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 |
AD21019
Formula: C7H9ON2S
Smiles:
CCCSC1=NC(=O)C=C[N]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.43 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 169.23 | Num_heavy_atoms: | 11 |
| TPSA: | 43.53 | NumAromaticRings: | 0 |
