Glycoside
GD157966
Name:
15-hydroxy-9-methyl-14-methylidene-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecane-5-carboxylic acidFormula:
C25H38O9Smiles:
C=C1C2CCC3C4(C)CC(OC5OC(CO)C(O)C(O)C5O)CC(C(=O)O)C4CCC3(C2)C1OAglycone:
C=C1C2CCC3C4(C)CC(O)CC(C(=O)O)C4CCC3(C2)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 482.57 | Num_heavy_atoms: | 34 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD01409
Formula: C19H28O4
Smiles:
C=C1C2CCC3C4(C)CC(O)CC(C(=O)O)C4CCC3(C2)C1O| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 320.43 | Num_heavy_atoms: | 23 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
