Glycoside
GD138380
Name:
4,5-dihydroxy-6-(hydroxymethyl)-2-[7-methoxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-chromen-8-yl]oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C30H32O12Smiles:
COc1cc(C=CC(=O)OC2C(c3c(OC)cc(C)c4c(=O)cc(CC(C)=O)oc34)OC(CO)C(O)C2O)ccc1OAglycone:
COc1cc(C)c2c(=O)cc(CC(C)=O)oc2c1.COc1cc(C=CC(=O)O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 9 |
| MolWt: | 584.57 | Num_heavy_atoms: | 42 |
| TPSA: | 182.19 | NumAromaticRings: | 3 |
Unique Aglycone
AD00175
Formula: C10H10O4
Smiles:
COc1cc(C=CC(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | 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 |
