Glycoside
GD031070
Name:
1-{10,11-dihydroxy-4,6,12,17,17-pentamethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]-9-oxahexacyclo[11.9.0.0¹,²¹.0â´,¹².0âµ,¹â°.0¹â¶,²¹]docos-13-en-8-yl}-2-hydroxy-2-methylpropyl acetateFormula:
C37H58O11Smiles:
CC(=O)O[C@H]([C@@H]1C[C@H](C)[C@@H]2[C@](O)(O1)[C@H](O)[C@]1(C)C3=CC[C@@H]4C(C)(C)[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)CC[C@]45C[C@]35CC[C@]21C)C(C)(C)OAglycone:
CC(=O)OC(C1CC(C)C2C(O)(O1)C(O)C1(C)C3=CCC4C(C)(C)C(O)CCC45CC35CCC21C)C(C)(C)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 5 |
| MolWt: | 678.86 | Num_heavy_atoms: | 48 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD20050
Formula: C32H50O7
Smiles:
CC(=O)OC(C1CC(C)C2C(O)(O1)C(O)C1(C)C3=CCC4C(C)(C)C(O)CCC45CC35CCC21C)C(C)(C)O| HBA: | 7 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 4.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 546.75 | Num_heavy_atoms: | 39 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
