Glycoside
GD117079
Name:
3,4,5,5-tetrahydroxy-3-[1-hydroxy-2-(methylamino)ethyl]-6-phenoxyoxane-2-carboxylic acidFormula:
C15H21O9NSmiles:
CNCC(O)C1(O)C(C(=O)O)OC(Oc2ccccc2)C(O)(O)C1OAglycone:
CNCCO.Oc1ccccc1Sugarmoiety:
O=C(O)C1OC(O)C(O)(O)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -2.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 359.33 | Num_heavy_atoms: | 25 |
| TPSA: | 168.94 | NumAromaticRings: | 1 |
Unique Aglycone
AD01349
Formula: C6H6O
Smiles:
Oc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 94.11 | Num_heavy_atoms: | 7 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD13978
Formula: C3H9ON
Smiles:
CNCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 75.11 | Num_heavy_atoms: | 5 |
| TPSA: | 32.26 | NumAromaticRings: | 0 |
