Glycoside
GD022421
Name:
3,4,5-trihydroxy-15-(4-hydroxyphenyl)-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,16-dioxatetracyclo[8.7.0.0²,â·.0¹³,¹â·]heptadeca-1(10),2(7),3,5,11,13(17)-hexaen-8-oneFormula:
C27H24O13Smiles:
O=c1oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c3c(c2c2c(O)c(O)c(O)cc12)O[C@H](c1ccc(O)cc1)C3Aglycone:
O=c1oc2cc(O)c3c(c2c2c(O)c(O)c(O)cc12)OC(c1ccc(O)cc1)C3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.3 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 556.48 | Num_heavy_atoms: | 40 |
| TPSA: | 219.74 | NumAromaticRings: | 4 |
Unique Aglycone
AD15201
Formula: C21H14O8
Smiles:
O=c1oc2cc(O)c3c(c2c2c(O)c(O)c(O)cc12)OC(c1ccc(O)cc1)C3| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.1 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 394.34 | Num_heavy_atoms: | 29 |
| TPSA: | 140.59 | NumAromaticRings: | 4 |
