Glycoside
GD123290
Name:
2-{4a-hydroxy-6-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-8a-methyl-2-oxo-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl}-1-(2-acetyl-1-methyl-5-oxocyclopentyl)ethyl 3-phenylprop-2-enoateFormula:
C43H58O15Smiles:
COC1CC(OC2CCC3(C)C(CC(OC(=O)C=Cc4ccccc4)C4(C)C(=O)CCC4C(C)=O)C(=O)C=CC3(O)C2)OC(C)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(=O)C1CCC(=O)C1(C)C(CC1C(=O)C=CC2(O)CC(O)CCC12C)OC(=O)C=Cc1ccccc1Sugarmoiety:
COC1CC(O)OC(C)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 13 |
| MolWt: | 814.92 | Num_heavy_atoms: | 58 |
| TPSA: | 224.81 | NumAromaticRings: | 1 |
Unique Aglycone
AD47570
Formula: C30H36O7
Smiles:
CC(=O)C1CCC(=O)C1(C)C(CC1C(=O)C=CC2(O)CC(O)CCC12C)OC(=O)C=Cc1ccccc1| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 7 |
| MolWt: | 508.61 | Num_heavy_atoms: | 37 |
| TPSA: | 117.97 | NumAromaticRings: | 1 |
