Glycoside
GD133571
Name:
2-{[2-hydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.0¹,¹â¸.0³,¹â·.0â´,¹â´.0â·,¹².0¹²,¹â´]tetracos-4-en-9-yl]oxy}oxane-3,4,5-triolFormula:
C35H54O9Smiles:
CC1CC2OC3(OC2C(C)(C)O)C1C1(C)CCC24CC25CCC(OC2OCC(O)C(O)C2O)C(C)(C)C5CC=C4C1(C)C3OAglycone:
CC1CC2OC3(OC2C(C)(C)O)C1C1(C)CCC24CC25CCC(O)C(C)(C)C5CC=C4C1(C)C3OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 618.81 | Num_heavy_atoms: | 44 |
| TPSA: | 138.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD12392
Formula: C30H46O5
Smiles:
CC1CC2OC3(OC2C(C)(C)O)C1C1(C)CCC24CC25CCC(O)C(C)(C)C5CC=C4C1(C)C3O| HBA: | 5 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 4.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 486.69 | Num_heavy_atoms: | 35 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
