Glycoside
GD142514
Name:
2-hydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-9-[(3,4,5-trihydroxyoxan-2-yl)oxy]-23,24-dioxaheptacyclo[19.2.1.0¹,¹â¸.0³,¹â·.0â´,¹â´.0â·,¹².0¹²,¹â´]tetracos-4-en-16-yl acetateFormula:
C37H56O11Smiles:
CC(=O)OC1CC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4CC=C3C2(C)C(O)C34OC(CC(C)C3C12C)C(C(C)(C)O)O4Aglycone:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CC=C3C2(C)C(O)C34OC(CC(C)C3C12C)C(C(C)(C)O)O4Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 676.84 | Num_heavy_atoms: | 48 |
| TPSA: | 164.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD57344
Formula: C32H48O7
Smiles:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CC=C3C2(C)C(O)C34OC(CC(C)C3C12C)C(C(C)(C)O)O4| HBA: | 7 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 4.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 544.73 | Num_heavy_atoms: | 39 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
