Glycoside
GD028078
Name:
NoneFormula:
C33H52O7N3PSSmiles:
CCCCCCCCCCCCCCCCCCOP(=O)(O)OC[C@@H]1O[C@H](n2ccc3c(-c4cccs4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Cc2c(ncnc2-c2cccs2)[N]1.CCCCCCCCCCCCCCCCCCOP(=O)(O)OCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 8.17 | Num_rotatable_bonds: | 23 |
| MolWt: | 665.83 | Num_heavy_atoms: | 45 |
| TPSA: | 136.16 | NumAromaticRings: | 3 |
Unique Aglycone
AD00513
Formula: C10H6N3S
Smiles:
C1=Cc2c(ncnc2-c2cccs2)[N]1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 200.25 | Num_heavy_atoms: | 14 |
| TPSA: | 39.88 | NumAromaticRings: | 2 |
AD07464
Formula: C19H41O4P
Smiles:
CCCCCCCCCCCCCCCCCCOP(=O)(O)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 7.01 | Num_rotatable_bonds: | 19 |
| MolWt: | 364.51 | Num_heavy_atoms: | 24 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
