Glycoside
GD123170
Name:
2,9,11-trihydroxy-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]docosa-9,13-dien-8-oneFormula:
C32H46O9Smiles:
CC1CC(=O)C(O)=C2C1C1(C)CC(O)C34CC35CCC(OC3OCC(O)C(O)C3O)C(C)(C)C5CC=C4C1(C)C2OAglycone:
CC1CC(=O)C(O)=C2C1C1(C)CC(O)C34CC35CCC(O)C(C)(C)C5CC=C4C1(C)C2OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.84 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 574.71 | Num_heavy_atoms: | 41 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD49689
Formula: C27H38O5
Smiles:
CC1CC(=O)C(O)=C2C1C1(C)CC(O)C34CC35CCC(O)C(C)(C)C5CC=C4C1(C)C2O| HBA: | 5 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | 3.68 | Num_rotatable_bonds: | 0 |
| MolWt: | 442.6 | Num_heavy_atoms: | 32 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
