Glycoside
GD004226
Name:
NoneFormula:
C22H28O11N3PSmiles:
O=C(NC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)OC(c1ccc(OC2CCCC2)cc1)P(=O)(O)OAglycone:
CNC(=O)OC(c1ccc(OC2CCCC2)cc1)P(=O)(O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 8 |
| MolWt: | 541.45 | Num_heavy_atoms: | 37 |
| 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 |
AD03719
Formula: C14H20O6NP
Smiles:
CNC(=O)OC(c1ccc(OC2CCCC2)cc1)P(=O)(O)O| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 329.29 | Num_heavy_atoms: | 22 |
| TPSA: | 105.09 | NumAromaticRings: | 1 |
