Glycoside
GD149249
Name:
15-[5-(acetyloxy)-6-hydroxy-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:
C37H60O11Smiles:
CC(=O)OC(CCC(C)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(OC5OCC(O)C(O)C5O)CC(O)C45CC35CCC12C)C(C)(C)OAglycone:
CC(=O)OC(CCC(C)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CC(O)C45CC35CCC12C)C(C)(C)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 3.4 | Num_rotatable_bonds: | 9 |
| MolWt: | 680.88 | Num_heavy_atoms: | 48 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD59689
Formula: C32H52O7
Smiles:
CC(=O)OC(CCC(C)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CC(O)C45CC35CCC12C)C(C)(C)O| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 4.94 | Num_rotatable_bonds: | 7 |
| MolWt: | 548.76 | Num_heavy_atoms: | 39 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
