Glycoside
GD134870
Name:
6,7,13-trihydroxy-14-[(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:
C26H26O17Smiles:
CC1OC(OCC2OC(Oc3c(O)cc4c(=O)oc5c(O)c(O)cc6c(=O)oc3c4c56)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.46 |
| AlogP: | -2.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 610.48 | Num_heavy_atoms: | 43 |
| TPSA: | 279.41 | NumAromaticRings: | 4 |
Unique Aglycone
AD12288
Formula: C14H6O8
Smiles:
O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 0 |
| MolWt: | 302.19 | Num_heavy_atoms: | 22 |
| TPSA: | 141.34 | NumAromaticRings: | 4 |
