Glycoside
GD016747
Name:
2-{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´]tetracosan-22-yl}propan-2-yl acetateFormula:
C37H58O9Smiles:
CC(=O)OC(C)(C)[C@@H]1O[C@@]23C[C@]4(C)[C@@H]5CC[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]2[C@H](C)C[C@H]1O3Aglycone:
CC(=O)OC(C)(C)C1OC23CC4(C)C5CCC6C(C)(C)C(O)CCC67CC57CCC4(C)C2C(C)CC1O3Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 4.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 646.86 | Num_heavy_atoms: | 46 |
| TPSA: | 123.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD12020
Formula: C32H50O5
Smiles:
CC(=O)OC(C)(C)C1OC23CC4(C)C5CCC6C(C)(C)C(O)CCC67CC57CCC4(C)C2C(C)CC1O3| HBA: | 5 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.97 |
| AlogP: | 6.26 | Num_rotatable_bonds: | 2 |
| MolWt: | 514.75 | Num_heavy_atoms: | 37 |
| TPSA: | 64.99 | NumAromaticRings: | 0 |
