Glycoside
GD018623
Name:
NoneFormula:
C19H20O10N3PSSmiles:
O=C(NC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)OC(c1csc2ccccc12)P(=O)(O)OAglycone:
CNC(=O)OC(c1csc2ccccc12)P(=O)(O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 513.42 | Num_heavy_atoms: | 34 |
| TPSA: | 200.41 | NumAromaticRings: | 3 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD13107
Formula: C11H12O5NPS
Smiles:
CNC(=O)OC(c1csc2ccccc12)P(=O)(O)O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.18 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 301.26 | Num_heavy_atoms: | 19 |
| TPSA: | 95.86 | NumAromaticRings: | 2 |
