Glycoside
GD136111
Name:
4,5-dihydroxy-6-(hydroxymethyl)-2-[7-methoxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-chromen-8-yl]oxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C29H30O12Smiles:
COc1cc(C)c2c(=O)cc(CC(C)=O)oc2c1C1OC(CO)C(O)C(O)C1OC(=O)C=Cc1ccc(O)c(O)c1Aglycone:
COc1cc(C)c2c(=O)cc(CC(C)=O)oc2c1.O=C(O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.34 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 8 |
| MolWt: | 570.55 | Num_heavy_atoms: | 41 |
| TPSA: | 193.19 | NumAromaticRings: | 3 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD44439
Formula: C14H14O4
Smiles:
COc1cc(C)c2c(=O)cc(CC(C)=O)oc2c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 246.26 | Num_heavy_atoms: | 18 |
| TPSA: | 56.51 | NumAromaticRings: | 2 |
