Glycoside
GD148122
Name:
(3,5-dihydroxy-4-{[3-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)prop-2-enoyl]oxy}-6-(4-hydroxyphenoxy)oxan-2-yl)methyl 3-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)prop-2-enoateFormula:
C30H28O13Smiles:
O=C1C=CC(O)(C=CC(=O)OCC2OC(Oc3ccc(O)cc3)C(O)C(OC(=O)C=CC3(O)C=CC(=O)C=C3)C2O)C=C1Aglycone:
COC(=O)C=CC1(O)C=CC(=O)C=C1.O=C(O)C=CC1(O)C=CC(=O)C=C1.Oc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 9 |
| MolWt: | 596.54 | Num_heavy_atoms: | 43 |
| TPSA: | 206.35 | NumAromaticRings: | 1 |
Unique Aglycone
AD00519
Formula: C6H6O2
Smiles:
Oc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.11 | Num_heavy_atoms: | 8 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
AD02238
Formula: C10H10O4
Smiles:
COC(=O)C=CC1(O)C=CC(=O)C=C1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD48269
Formula: C9H8O4
Smiles:
O=C(O)C=CC1(O)C=CC(=O)C=C1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
