Glycoside
GD144586
Name:
20'-hydroxy-7',18'-bis(hydroxymethyl)-7',14',18',22'-tetramethyl-19'-[(3,4,5-trihydroxyoxan-2-yl)oxy]spiro[cyclopentane-1,15'-hexacyclo[11.9.3.0¹,¹â´.0â´,¹³.0âµ,¹â°.0¹â·,²²]pentacosan]-3'-ene-10'-carboxylic acidFormula:
C41H64O10Smiles:
CC1(CO)CCC2(C(=O)O)CCC34CCCC5(CC=C3C2C1)C1(C)CC(O)C(OC2OCC(O)C(O)C2O)C(C)(CO)C1CC1(CCCC1)C45CAglycone:
CC1(CO)CCC2(C(=O)O)CCC34CCCC5(CC=C3C2C1)C1(C)CC(O)C(O)C(C)(CO)C1CC1(CCCC1)C45CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 4.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 716.95 | Num_heavy_atoms: | 51 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD58094
Formula: C36H56O6
Smiles:
CC1(CO)CCC2(C(=O)O)CCC34CCCC5(CC=C3C2C1)C1(C)CC(O)C(O)C(C)(CO)C1CC1(CCCC1)C45C| HBA: | 6 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | 5.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 584.84 | Num_heavy_atoms: | 42 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
