Glycoside
GD154535
Name:
2-{9-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-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-22-yl}propan-2-yl acetateFormula:
C43H68O15Smiles:
CC(=O)OC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(OC2OCC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(C)(C)C5CCC4C1(C)C3OAglycone:
CC(=O)OC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3OSugarmoiety:
OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.98 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 7 |
| MolWt: | 825.0 | Num_heavy_atoms: | 58 |
| TPSA: | 223.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD06682
Formula: C32H50O6
Smiles:
CC(=O)OC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3O| HBA: | 6 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 5.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 530.75 | Num_heavy_atoms: | 38 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
