Glycoside
GD145604
Name:
4,5-dihydroxy-2-{[2-hydroxy-3,8,8,17,19-pentamethyl-22-(prop-1-en-2-yl)-23,24-dioxaheptacyclo[19.2.1.0¹,¹â¸.0³,¹â·.0â´,¹â´.0â·,¹².0¹²,¹â´]tetracosan-9-yl]oxy}oxan-3-yl acetateFormula:
C37H56O9Smiles:
C=C(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(OC2OCC(O)C(O)C2OC(C)=O)C(C)(C)C5CCC4C1(C)C3OAglycone:
C=C(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3OSugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 0.92 |
| AlogP: | 4.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 644.85 | Num_heavy_atoms: | 46 |
| TPSA: | 123.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD47721
Formula: C30H46O4
Smiles:
C=C(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3O| HBA: | 4 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 5.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
