Glycoside
GD133630
Name:
3-({6-[({3,5-dihydroxy-6-methyl-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-4,5-dihydroxy-3-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-oneFormula:
C37H46O24Smiles:
CC1OC(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(OC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1OAglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(OCC2OC(O)C(OC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.59 |
| AlogP: | -5.15 | Num_rotatable_bonds: | 10 |
| MolWt: | 874.75 | Num_heavy_atoms: | 61 |
| TPSA: | 387.27 | 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 |
