Glycoside
GD115269
Name:
6,7,13,14-tetrahydroxy-12-[5,6,7-trihydroxy-1-oxo-3-(1,2,3,4-tetrahydroxybutyl)-1H-isochromen-8-yl]-2,9-dioxatetracyclo[6.6.2.0â´,¹â¶.0¹¹,¹âµ]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dioneFormula:
C27H18O17Smiles:
O=c1oc2c(O)c(O)c(-c3c(O)c(O)c(O)c4cc(C(O)C(O)C(O)CO)oc(=O)c34)c3c(=O)oc4c(O)c(O)cc1c4c23Aglycone:
O=c1oc2c(O)c(O)c(-c3c(O)c(O)c(O)c4ccoc(=O)c34)c3c(=O)oc4c(O)c(O)cc1c4c23Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.15 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 614.42 | Num_heavy_atoms: | 44 |
| TPSA: | 313.16 | NumAromaticRings: | 6 |
Unique Aglycone
AD45562
Formula: C23H10O13
Smiles:
O=c1oc2c(O)c(O)c(-c3c(O)c(O)c(O)c4ccoc(=O)c34)c3c(=O)oc4c(O)c(O)cc1c4c23| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.0 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 494.32 | Num_heavy_atoms: | 36 |
| TPSA: | 232.24 | NumAromaticRings: | 6 |
