Glycoside
GD118147
Name:
4-hydroxy-7,8-dimethoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-oneFormula:
C16H21O11NSmiles:
COc1ccc2c(c1OC)OC(OC1OC(CO)C(O)C(O)C1O)C(=O)N2OAglycone:
COc1ccc2c(c1OC)OC(O)C(=O)N2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -2.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 403.34 | Num_heavy_atoms: | 28 |
| TPSA: | 167.61 | NumAromaticRings: | 1 |
Unique Aglycone
AD47209
Formula: C10H11O6N
Smiles:
COc1ccc2c(c1OC)OC(O)C(=O)N2O| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 241.2 | Num_heavy_atoms: | 17 |
| TPSA: | 88.46 | NumAromaticRings: | 1 |
