Glycoside
GD009945
Name:
NoneFormula:
C22H30O10N3PSmiles:
Cc1cc(=O)[nH]c(=O)n1C1O[C@H](COP(=O)(N[C@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@H](O)[C@H]1OAglycone:
COP(=O)(NC(C)C(=O)OC(C)C)Oc1ccccc1.Cc1cc(=O)[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 10 |
| MolWt: | 527.47 | Num_heavy_atoms: | 36 |
| TPSA: | 178.41 | NumAromaticRings: | 2 |
Unique Aglycone
AD03976
Formula: C5H6O2N2
Smiles:
Cc1cc(=O)[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD04990
Formula: C13H20O5NP
Smiles:
COP(=O)(NC(C)C(=O)OC(C)C)Oc1ccccc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.46 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 7 |
| MolWt: | 301.28 | Num_heavy_atoms: | 20 |
| TPSA: | 73.86 | NumAromaticRings: | 1 |
