Glycoside
GD037005
Name:
NoneFormula:
C20H24O11N3PSmiles:
CCCOc1cccc(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:
CCCOc1cccc(C(OC(=O)NC)P(=O)([O-])[O-])c1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | -1.72 | Num_rotatable_bonds: | 9 |
| MolWt: | 513.4 | Num_heavy_atoms: | 35 |
| TPSA: | 215.3 | 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 |
AD23340
Formula: C12H16O6NP
Smiles:
CCCOc1cccc(C(OC(=O)NC)P(=O)([O-])[O-])c1| HBA: | 7 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 6 |
| MolWt: | 301.24 | Num_heavy_atoms: | 20 |
| TPSA: | 110.75 | NumAromaticRings: | 1 |
