Glycoside
GD133810
Name:
3,5-dihydroxy-2-methyl-6-({3,4,5-trihydroxy-6-[2-hydroxy-4-(3-oxoprop-1-en-1-yl)phenoxy]oxan-2-yl}methoxy)oxan-4-yl acetateFormula:
C23H30O13Smiles:
CC(=O)OC1C(O)C(C)OC(OCC2OC(Oc3ccc(C=CC=O)cc3O)C(O)C(O)C2O)C1OAglycone:
O=CC=Cc1ccc(O)c(O)c1Sugarmoiety:
CC(=O)OC1C(O)C(C)OC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 8 |
| MolWt: | 514.48 | Num_heavy_atoms: | 36 |
| TPSA: | 201.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD03296
Formula: C9H8O3
Smiles:
O=CC=Cc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
