Glycoside
GD019443
Name:
NoneFormula:
C9H17O20N2P5SSmiles:
O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]2O)c(=S)[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O.O=c1cc[nH]c(=S)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.56 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 12 |
| MolWt: | 660.17 | Num_heavy_atoms: | 37 |
| TPSA: | 340.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD00306
Formula: C4H4ON2S
Smiles:
O=c1cc[nH]c(=S)[nH]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 0 |
| MolWt: | 128.16 | Num_heavy_atoms: | 8 |
| TPSA: | 48.65 | NumAromaticRings: | 1 |
AD13569
Formula: CH9O16P5
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 16 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 9 |
| MolWt: | 431.94 | Num_heavy_atoms: | 22 |
| TPSA: | 252.88 | NumAromaticRings: | 0 |
