Glycoside
GD155291
Name:
4-hydroxy-15-[6-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-7,12,16-trimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecane-7-carboxylic acidFormula:
C37H62O11Smiles:
CC(CCC(CO)C(C)(C)O)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(OC5OC(CO)C(O)C(O)C5O)CC(O)C45CC35CCC12CAglycone:
CC(CCC(CO)C(C)(C)O)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CC(O)C45CC35CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.97 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 10 |
| MolWt: | 682.89 | Num_heavy_atoms: | 48 |
| TPSA: | 197.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD61607
Formula: C31H52O6
Smiles:
CC(CCC(CO)C(C)(C)O)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CC(O)C45CC35CCC12C| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 520.75 | Num_heavy_atoms: | 37 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
