Glycoside
GD115823
Name:
2-{[22-(2-butoxypropan-2-yl)-2-hydroxy-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.0¹,¹â¸.0³,¹â·.0â´,¹â´.0â·,¹².0¹²,¹â´]tetracosan-9-yl]oxy}oxane-3,4,5-triolFormula:
C39H64O9Smiles:
CCCCOC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(OC2OCC(O)C(O)C2O)C(C)(C)C5CCC4C1(C)C3OAglycone:
CCCCOC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 4.95 | Num_rotatable_bonds: | 7 |
| MolWt: | 676.93 | Num_heavy_atoms: | 48 |
| TPSA: | 127.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD45890
Formula: C34H56O5
Smiles:
CCCCOC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3O| HBA: | 5 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 6.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 544.82 | Num_heavy_atoms: | 39 |
| TPSA: | 68.15 | NumAromaticRings: | 0 |
