Glycoside
GD157249
Name:
2,9,10,11-tetrahydroxy-4,6,12,17,17-pentamethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[11.9.0.0¹,²¹.0â´,¹².0âµ,¹â°.0¹â¶,²¹]docos-13-en-8-oneFormula:
C32H48O10Smiles:
CC1CC(=O)C(O)C2(O)C1C1(C)CC(O)C34CC35CCC(OC3OCC(O)C(O)C3O)C(C)(C)C5CC=C4C1(C)C2OAglycone:
CC1CC(=O)C(O)C2(O)C1C1(C)CC(O)C34CC35CCC(O)C(C)(C)C5CC=C4C1(C)C2OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 2 |
| MolWt: | 592.73 | Num_heavy_atoms: | 42 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD62187
Formula: C27H40O6
Smiles:
CC1CC(=O)C(O)C2(O)C1C1(C)CC(O)C34CC35CCC(O)C(C)(C)C5CC=C4C1(C)C2O| HBA: | 6 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 0 |
| MolWt: | 460.61 | Num_heavy_atoms: | 33 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
