Glycoside
GD153780
Name:
2-β-d-glucopyranosyloxy-4,7-dimethoxy-1,4-benzoxazin-3-one (hdmboa-glc)Formula:
C17H23O10NSmiles:
CCC1OC(OC2Oc3cc(OC)c(O)cc3N(OC)C2=O)C(O)C(O)C1OAglycone:
COc1cc2c(cc1O)N(OC)C(=O)C(O)O2Sugarmoiety:
CCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 401.37 | Num_heavy_atoms: | 28 |
| TPSA: | 147.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD61131
Formula: C10H11O6N
Smiles:
COc1cc2c(cc1O)N(OC)C(=O)C(O)O2| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 241.2 | Num_heavy_atoms: | 17 |
| TPSA: | 88.46 | NumAromaticRings: | 1 |
