Glycoside
GD143519
Name:
1-(2,6-dihydroxy-6-methylhept-4-en-2-yl)-3b,6,6,9a-tetramethyl-3a-{[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]methyl}-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-2-oneFormula:
C46H76O18Smiles:
CC(C)(O)C=CCC(C)(O)C1C(=O)CC2(COC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)C1CCC1C3(C)CCC(OC4OCC(O)C(O)C4O)C(C)(C)C3CCC12CAglycone:
CC(C)(O)C=CCC(C)(O)C1C(=O)CC2(CO)C1CCC1C3(C)CCC(O)C(C)(C)C3CCC12CSugarmoiety:
OC1COC(O)C(O)C1O.OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.93 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 12 |
| MolWt: | 917.1 | Num_heavy_atoms: | 64 |
| TPSA: | 294.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD45535
Formula: C30H50O5
Smiles:
CC(C)(O)C=CCC(C)(O)C1C(=O)CC2(CO)C1CCC1C3(C)CCC(O)C(C)(C)C3CCC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 4.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
