Glycoside
GD030972
Name:
2-{2-hydroxy-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-22-yl}propan-2-yl acetateFormula:
C37H56O10Smiles:
CC(=O)OC(C)(C)[C@@H]1O[C@@]23O[C@H]1C[C@H](C)[C@H]2[C@]1(C)CC[C@]24C[C@]25CC[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@H]5CC=C4[C@@]1(C)[C@H]3OAglycone:
CC(=O)OC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(O)C(C)(C)C5CC=C4C1(C)C3OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 4 |
| MolWt: | 660.85 | Num_heavy_atoms: | 47 |
| TPSA: | 144.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD20011
Formula: C32H48O6
Smiles:
CC(=O)OC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(O)C(C)(C)C5CC=C4C1(C)C3O| HBA: | 6 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.91 |
| AlogP: | 5.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 528.73 | Num_heavy_atoms: | 38 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
