Glycoside
GD145591
Name:
19-({3,5-dihydroxy-6-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-16-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan-6-oneFormula:
C34H54O12Smiles:
CC1OC(OC2C(O)C(C)OC(OC3CC4C(CCC5(C)C4CC4OC(=O)C(C)C45)C4(C)CCC(O)CC34)C2O)C(O)C(O)C1OAglycone:
CC1C(=O)OC2CC3C4CC(O)C5CC(O)CCC5(C)C4CCC3(C)C21Sugarmoiety:
CC1OC(OC2C(O)C(C)OC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 4 |
| MolWt: | 654.79 | Num_heavy_atoms: | 46 |
| TPSA: | 184.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD45619
Formula: C22H34O4
Smiles:
CC1C(=O)OC2CC3C4CC(O)C5CC(O)CCC5(C)C4CCC3(C)C21| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.95 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 0 |
| MolWt: | 362.51 | Num_heavy_atoms: | 26 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
