Glycoside
GD128063
Name:
13-[(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-6,7,14-trihydroxy-2,9-dioxatetracyclo[6.6.2.0â´,¹â¶.0¹¹,¹âµ]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dioneFormula:
C26H26O18Smiles:
O=c1oc2c(O)c(OCC3OC(OC4(CO)OC(CO)C(O)C4O)C(O)C(O)C3O)cc3c(=O)oc4c(O)c(O)cc1c4c23Aglycone:
COc1cc2c(=O)oc3c(O)c(O)cc4c(=O)oc(c1O)c2c34Sugarmoiety:
OCC1OC(CO)(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.46 |
| AlogP: | -3.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 626.48 | Num_heavy_atoms: | 44 |
| TPSA: | 299.64 | NumAromaticRings: | 4 |
Unique Aglycone
AD45685
Formula: C15H8O8
Smiles:
COc1cc2c(=O)oc3c(O)c(O)cc4c(=O)oc(c1O)c2c34| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 316.22 | Num_heavy_atoms: | 23 |
| TPSA: | 130.34 | NumAromaticRings: | 4 |
