Glycoside
GD141724
Name:
3-[(4,5-dihydroxy-5-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]peroxy}-6-{[(2,3,5-trihydroxy-6-methyloxan-4-yl)oxy]methyl}oxan-2-yl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2,3,5-trihydroxy-6-methyloxan-4-yl)oxy]-4H-chromen-4-oneFormula:
C40H52O25Smiles:
CC1OC(O)C(O)C(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(OC5C(O)C(C)OC(O)C5O)cc(O)c4c3=O)C(OOC3OC(CO)C(O)C(O)C3O)C(O)C2(C)O)C1OAglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(OCC2OC(O)C(OOC3OC(CO)C(O)C(O)C3O)C(O)C2(C)O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.62 |
| AlogP: | -4.75 | Num_rotatable_bonds: | 12 |
| MolWt: | 932.83 | Num_heavy_atoms: | 65 |
| TPSA: | 396.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD00022
Formula: C15H10O6
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
Sugarmoiety
SD08751
CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(OCC2OC(O)C(OOC3OC(CO)C(O)C(O)C3O)C(O)C2(C)O)C1O