Glycoside
GD149313
Name:
2-β-d-glucopyranosyloxy-4,7,8-trimethoxy-1,4-benzoxazin-3-one (hdm2boa-glc)Formula:
C18H25O10NSmiles:
CCC1OC(OC2Oc3cc(OC)c(OC)cc3N(OC)C2=O)C(O)C(O)C1OAglycone:
COc1cc2c(cc1OC)N(OC)C(=O)C(O)O2Sugarmoiety:
CCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.61 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 415.4 | Num_heavy_atoms: | 29 |
| TPSA: | 136.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD59715
Formula: C11H13O6N
Smiles:
COc1cc2c(cc1OC)N(OC)C(=O)C(O)O2| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 255.23 | Num_heavy_atoms: | 18 |
| TPSA: | 77.46 | NumAromaticRings: | 1 |
