Glycoside
GD003544
Name:
NoneFormula:
C18H22O11N3PSmiles:
COc1cccc(C(OC(=O)NC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)P(=O)(O)O)c1Aglycone:
CNC(=O)OC(c1cccc(OC)c1)P(=O)(O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 487.36 | Num_heavy_atoms: | 33 |
| TPSA: | 209.64 | NumAromaticRings: | 2 |
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 |
AD03211
Formula: C10H14O6NP
Smiles:
CNC(=O)OC(c1cccc(OC)c1)P(=O)(O)O| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 4 |
| MolWt: | 275.2 | Num_heavy_atoms: | 18 |
| TPSA: | 105.09 | NumAromaticRings: | 1 |
