Glycoside
GD116040
Name:
6-hydroxy-7,14-dimethoxy-13-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-2,9-dioxatetracyclo[6.6.2.0â´,¹â¶.0¹¹,¹âµ]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dioneFormula:
C28H30O17Smiles:
COc1c(O)cc2c(=O)oc3c(OC)c(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc4c(=O)oc1c2c34Aglycone:
COc1c(O)cc2c(=O)oc3c(OC)c(O)cc4c(=O)oc1c2c34Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 638.53 | Num_heavy_atoms: | 45 |
| TPSA: | 257.41 | NumAromaticRings: | 4 |
Unique Aglycone
AD09504
Formula: C16H10O8
Smiles:
COc1c(O)cc2c(=O)oc3c(OC)c(O)cc4c(=O)oc1c2c34| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 2 |
| MolWt: | 330.25 | Num_heavy_atoms: | 24 |
| TPSA: | 119.34 | NumAromaticRings: | 4 |
