Glycoside
GD144499
Name:
5-hydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpenta-1,3-dien-1-yl)-16-[(3,4,5-trihydroxyoxan-2-yl)oxy]-7-oxapentacyclo[10.8.0.0²,â¹.0âµ,â¹.0¹³,¹â¸]icosa-1(20),11-dien-8-oneFormula:
C35H50O8Smiles:
CC(C)=CC=CC1(C)OC(=O)C23CC=C4C(=CCC5C4(C)CCC(OC4OCC(O)C(O)C4O)C5(C)C)C2(C)CCC13OAglycone:
CC(C)=CC=CC1(C)OC(=O)C23CC=C4C(=CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 4.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 598.78 | Num_heavy_atoms: | 43 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD58073
Formula: C30H42O4
Smiles:
CC(C)=CC=CC1(C)OC(=O)C23CC=C4C(=CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13O| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 5.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 466.66 | Num_heavy_atoms: | 34 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
