Glycoside
GD127794
Name:
Germanaism GFormula:
C38H40O19Smiles:
COc1cc(C(C)=O)ccc1OC1C(Oc2ccc(-c3coc4cc5c(c(OC)c4c3=O)OCO5)cc2OC2OC(CO)C(O)C(O)C2O)OC(CO)C(O)C1OAglycone:
COc1c2c(cc3occ(-c4ccc(O)c(O)c4)c(=O)c13)OCO2.COc1cc(C(C)=O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 12 |
| MolWt: | 800.72 | Num_heavy_atoms: | 57 |
| TPSA: | 271.96 | NumAromaticRings: | 4 |
Unique Aglycone
AD01258
Formula: C9H10O3
Smiles:
COc1cc(C(C)=O)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD51760
Formula: C17H12O7
Smiles:
COc1c2c(cc3occ(-c4ccc(O)c(O)c4)c(=O)c13)OCO2| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.61 | Num_rotatable_bonds: | 2 |
| MolWt: | 328.28 | Num_heavy_atoms: | 24 |
| TPSA: | 98.36 | NumAromaticRings: | 3 |
