Glycoside
GD139068
Name:
5-[1-(acetyloxy)-2-carboxyethyl]-2-[(furan-2-yl)({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-6-(2-hydroxypropan-2-yl)-2,5,8a-trimethyl-8-oxo-octahydro-2H-spiro[naphthalene-1,2'-oxirane]-3'-carboxylic acidFormula:
C34H48O16Smiles:
CC(=O)OC(CC(=O)O)C1(C)C(C(C)(C)O)CC(=O)C2(C)C1CCC(C)(C(OC1OC(CO)C(O)C(O)C1O)c1ccco1)C21OC1C(=O)OAglycone:
CC(=O)OC(CC(=O)O)C1(C)C(C(C)(C)O)CC(=O)C2(C)C1CCC(C)(C(O)c1ccco1)C21OC1C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.76 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 11 |
| MolWt: | 712.74 | Num_heavy_atoms: | 50 |
| TPSA: | 263.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD56087
Formula: C28H38O11
Smiles:
CC(=O)OC(CC(=O)O)C1(C)C(C(C)(C)O)CC(=O)C2(C)C1CCC(C)(C(O)c1ccco1)C21OC1C(=O)O| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 8 |
| MolWt: | 550.6 | Num_heavy_atoms: | 39 |
| TPSA: | 184.1 | NumAromaticRings: | 1 |
