Glycoside
GD116133
Name:
7-methyl-3-oxo-octahydrocyclopenta[c]pyran-6-yl 4-[2-(acetyloxy)ethyl]-3-ethenyl-2-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C35H46O17Smiles:
C=CC1C(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)OC=C(C(=O)OC2CC3CC(=O)OCC3C2C)C1CCOC(C)=OAglycone:
C=CC1C(O)OC=C(C(=O)OC2CC3CC(=O)OCC3C2C)C1CCOC(C)=O.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.69 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 13 |
| MolWt: | 738.74 | Num_heavy_atoms: | 52 |
| TPSA: | 211.79 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD46068
Formula: C21H28O8
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CC3CC(=O)OCC3C2C)C1CCOC(C)=O| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 6 |
| MolWt: | 408.45 | Num_heavy_atoms: | 29 |
| TPSA: | 108.36 | NumAromaticRings: | 0 |
