Glycoside
GD127627
Name:
15-[5,6-dihydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-4-hydroxy-7,12,16-trimethyl-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecane-7-carboxylic acidFormula:
C36H60O11Smiles:
CC(CCC(O)(CO)C(C)(C)O)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(OC5OCC(O)C(O)C5O)CC(O)C45CC35CCC12CAglycone:
CC(CCC(O)(CO)C(C)(C)O)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CC(O)C45CC35CCC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.97 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 9 |
| MolWt: | 668.87 | Num_heavy_atoms: | 47 |
| TPSA: | 197.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD51684
Formula: C31H52O7
Smiles:
CC(CCC(O)(CO)C(C)(C)O)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CC(O)C45CC35CCC12C| HBA: | 7 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 3.73 | Num_rotatable_bonds: | 7 |
| MolWt: | 536.75 | Num_heavy_atoms: | 38 |
| TPSA: | 138.45 | NumAromaticRings: | 0 |
