Glycoside
GD118718
Name:
3-{6-[1-(acetyloxy)-2-hydroxy-2-methylpropyl]-4-methyl-2-oxooxan-3-yl}-3,4,7,7-tetramethyl-8-[(3,4,5-trihydroxyoxan-2-yl)oxy]-dodecahydro-1H-cyclopropa[f]phenanthrene-4-carboxylic acidFormula:
C37H58O12Smiles:
CC(=O)OC(C1CC(C)C(C2(C)CCC34CC35CCC(OC3OCC(O)C(O)C3O)C(C)(C)C5CCC4C2(C)C(=O)O)C(=O)O1)C(C)(C)OAglycone:
CC(=O)OC(C1CC(C)C(C2(C)CCC34CC35CCC(O)C(C)(C)C5CCC4C2(C)C(=O)O)C(=O)O1)C(C)(C)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 694.86 | Num_heavy_atoms: | 49 |
| TPSA: | 189.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD47494
Formula: C32H50O8
Smiles:
CC(=O)OC(C1CC(C)C(C2(C)CCC34CC35CCC(O)C(C)(C)C5CCC4C2(C)C(=O)O)C(=O)O1)C(C)(C)O| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 4.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 562.74 | Num_heavy_atoms: | 40 |
| TPSA: | 130.36 | NumAromaticRings: | 0 |
