Glycoside
GD000778
Name:
NoneFormula:
C17H21O8N2PSmiles:
Cc1ccc(-c2cn([C@@H]3O[C@H](CCP(=O)(O)O)[C@H](O)[C@H]3O)c(=O)[nH]c2=O)cc1Aglycone:
CCP(=O)(O)O.Cc1ccc(-c2c[nH]c(=O)[nH]c2=O)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 412.34 | Num_heavy_atoms: | 28 |
| TPSA: | 162.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD00498
Formula: C2H7O3P
Smiles:
CCP(=O)(O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.05 | Num_heavy_atoms: | 6 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD00822
Formula: C11H10O2N2
Smiles:
Cc1ccc(-c2c[nH]c(=O)[nH]c2=O)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 202.21 | Num_heavy_atoms: | 15 |
| TPSA: | 65.72 | NumAromaticRings: | 2 |
