Glycoside
GD153313
Name:
15-(6-hydroperoxy-6-methylhept-4-en-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:
C35H56O10Smiles:
CC(CC=CC(C)(C)OO)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(OC5OCC(O)C(O)C5O)CC(O)C45CC35CCC12CAglycone:
CC(CC=CC(C)(C)OO)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CC(O)C45CC35CCC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 4.14 | Num_rotatable_bonds: | 8 |
| MolWt: | 636.82 | Num_heavy_atoms: | 45 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD60986
Formula: C30H48O6
Smiles:
CC(CC=CC(C)(C)OO)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CC(O)C45CC35CCC12C| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 5.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 504.71 | Num_heavy_atoms: | 36 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
