Glycoside
GD127647
Name:
3,5-dihydroxy-2-methyl-6-[(7-methyl-5-oxo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4a-yl)oxy]oxan-4-yl 3-phenylprop-2-enoateFormula:
C30H36O14Smiles:
CC1=CC(=O)C2(OC3OC(C)C(O)C(OC(=O)C=Cc4ccccc4)C3O)C=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC1=CC(=O)C2(O)C=COC(O)C12.O=C(O)C=Cc1ccccc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 8 |
| MolWt: | 620.6 | Num_heavy_atoms: | 44 |
| TPSA: | 210.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD00362
Formula: C9H8O2
Smiles:
O=C(O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD49121
Formula: C9H10O4
Smiles:
CC1=CC(=O)C2(O)C=COC(O)C12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
