Glycoside
GD119694
Name:
3,4,5,15-tetrahydroxy-17-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-9-oxatetracyclo[8.8.0.0²,â·.0¹¹,¹â¶]octadeca-1(18),2(7),3,5,10,12,14,16-octaen-8-oneFormula:
C29H30O16Smiles:
CC1OC(OCC2OC(Oc3cc4c(oc(=O)c5cc(O)c(O)c(O)c54)c4cccc(O)c34)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1oc2c3cccc(O)c3c(O)cc2c2c(O)c(O)c(O)cc12Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.41 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 634.54 | Num_heavy_atoms: | 45 |
| TPSA: | 269.43 | NumAromaticRings: | 4 |
Unique Aglycone
AD48003
Formula: C17H10O7
Smiles:
O=c1oc2c3cccc(O)c3c(O)cc2c2c(O)c(O)c(O)cc12| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 326.26 | Num_heavy_atoms: | 24 |
| TPSA: | 131.36 | NumAromaticRings: | 4 |
