Glycoside
GD153557
Name:
4-hydroxy-7,12,16-trimethyl-15-(6-methyl-5-methylidene-4-oxoheptan-2-yl)-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecane-7-carboxylic acidFormula:
C36H56O9Smiles:
C=C(C(=O)CC(C)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(OC5OCC(O)C(O)C5O)CC(O)C45CC35CCC12C)C(C)CAglycone:
C=C(C(=O)CC(C)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CC(O)C45CC35CCC12C)C(C)CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 8 |
| MolWt: | 632.83 | Num_heavy_atoms: | 45 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD61054
Formula: C31H48O5
Smiles:
C=C(C(=O)CC(C)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CC(O)C45CC35CCC12C)C(C)C| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 5.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 500.72 | Num_heavy_atoms: | 36 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
