Glycoside
GD116741
Name:
3,4,5-trihydroxy-6-{2-hydroxy-4-[1-hydroxy-2-(methylamino)ethyl]phenoxy}oxane-2-carboxylic acidFormula:
C15H21O9NSmiles:
CNCC(O)c1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)c(O)c1Aglycone:
CNCC(O)c1ccc(O)c(O)c1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 359.33 | Num_heavy_atoms: | 25 |
| TPSA: | 168.94 | NumAromaticRings: | 1 |
Unique Aglycone
AD46421
Formula: C9H13O3N
Smiles:
CNCC(O)c1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 183.21 | Num_heavy_atoms: | 13 |
| TPSA: | 72.72 | NumAromaticRings: | 1 |
