Glycoside
GD150458
Name:
16,17-dimethoxy-6-{3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]prop-1-en-2-yl}-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0â´,â¸.0¹â´,¹â¹]henicosa-1(13),3,8,10,14,16,18-heptaen-12-oneFormula:
C34H38O16Smiles:
C=C(COC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1Cc2c(ccc3c(=O)c4c(oc23)COc2cc(OC)c(OC)cc2-4)O1Aglycone:
C=C(CO)C1Cc2c(ccc3c(=O)c4c(oc23)COc2cc(OC)c(OC)cc2-4)O1Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 9 |
| MolWt: | 702.66 | Num_heavy_atoms: | 50 |
| TPSA: | 225.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD60101
Formula: C23H20O7
Smiles:
C=C(CO)C1Cc2c(ccc3c(=O)c4c(oc23)COc2cc(OC)c(OC)cc2-4)O1| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.26 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 408.41 | Num_heavy_atoms: | 30 |
| TPSA: | 87.36 | NumAromaticRings: | 3 |
