Glycoside
GD131489
Name:
2-hydroxy-7-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-10,17-dimethyl-16,21-dioxahexacyclo[15.3.1.0¹,¹â´.0²,¹¹.0âµ,¹â°.0¹â´,¹â¸]henicos-4-en-15-oneFormula:
C34H50O13Smiles:
COC1CC(OC2CCC3(C)C(=CCC4(O)C3CCC35C(=O)OC6(C)OC43CCC65)C2)OC(C)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC12OC(=O)C34CCC5C6(C)CCC(O)CC6=CCC5(O)C3(CCC14)O2Sugarmoiety:
COC1CC(O)OC(C)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 6 |
| MolWt: | 666.76 | Num_heavy_atoms: | 47 |
| TPSA: | 182.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD13751
Formula: C21H28O5
Smiles:
CC12OC(=O)C34CCC5C6(C)CCC(O)CC6=CCC5(O)C3(CCC14)O2| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 0 |
| MolWt: | 360.45 | Num_heavy_atoms: | 26 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
