Glycoside
GD111251
Name:
2-{[5-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´]tetracosan-9-yl]oxy}oxane-3,4,5-triolFormula:
C35H56O9Smiles:
C[C@@H]1C[C@H]2O[C@]3(C[C@@]4(C)[C@@H]5[C@@H](O)C[C@H]6C(C)(C)[C@@H](O[C@H]7OC[C@H](O)[C@@H](O)[C@@H]7O)CC[C@@]67C[C@@]57CC[C@]4(C)[C@@H]13)O[C@@H]2C(C)(C)OAglycone:
CC1CC2OC3(CC4(C)C5C(O)CC6C(C)(C)C(O)CCC67CC57CCC4(C)C13)OC2C(C)(C)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 620.82 | Num_heavy_atoms: | 44 |
| TPSA: | 138.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD05803
Formula: C30H48O5
Smiles:
CC1CC2OC3(CC4(C)C5C(O)CC6C(C)(C)C(O)CCC67CC57CCC4(C)C13)OC2C(C)(C)O| HBA: | 5 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 4.66 | Num_rotatable_bonds: | 1 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
