Glycoside
GD155785
Name:
[6-({2-[(3,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-6-methyloxan-4-yl)oxy]-4,5-dihydroxy-6-methyloxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C42H46O20Smiles:
CC1OC(OC2C(O)C(C)OC(Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)C2O)C(OC2OC(COC(=O)C=Cc3ccc(O)cc3)C(O)C(O)C2O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(OC2C(O)C(C)OC(O)C2O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.43 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 11 |
| MolWt: | 870.81 | Num_heavy_atoms: | 62 |
| TPSA: | 314.19 | NumAromaticRings: | 4 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD00529
Formula: C15H10O5
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
