Glycoside
GD153567
Name:
8-{6-[1-(acetyloxy)-2-hydroxy-2-methylpropyl]-4-methyl-2-oxooxan-3-yl}-4,4,7,8-tetramethyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1H,2H,3H,4H,4aH,5H,7H,8H,9H,10H,11H-cyclopropa[f]phenanthrene-7-carboxylic acidFormula:
C37H56O12Smiles:
CC(=O)OC(C1CC(C)C(C2(C)CCC34CC35CCC(OC3OCC(O)C(O)C3O)C(C)(C)C5CC=C4C2(C)C(=O)O)C(=O)O1)C(C)(C)OAglycone:
CC(=O)OC(C1CC(C)C(C2(C)CCC34CC35CCC(O)C(C)(C)C5CC=C4C2(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: | 0.86 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 692.84 | Num_heavy_atoms: | 49 |
| TPSA: | 189.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD61059
Formula: C32H48O8
Smiles:
CC(=O)OC(C1CC(C)C(C2(C)CCC34CC35CCC(O)C(C)(C)C5CC=C4C2(C)C(=O)O)C(=O)O1)C(C)(C)O| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 4.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 560.73 | Num_heavy_atoms: | 40 |
| TPSA: | 130.36 | NumAromaticRings: | 0 |
