Glycoside
GD037489
Name:
NoneFormula:
C11H17O11NP2Smiles:
O=c1cc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)CP(=O)(O)O.O=c1cc(O)cc[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 401.2 | Num_heavy_atoms: | 25 |
| TPSA: | 195.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD02310
Formula: C2H8O6P2
Smiles:
COP(=O)(O)CP(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 190.03 | Num_heavy_atoms: | 10 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
AD02628
Formula: C5H5O2N
Smiles:
O=c1cc(O)cc[nH]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 53.09 | NumAromaticRings: | 1 |
