Glycoside
GD141895
Name:
3,4,5-trihydroxy-6-{[7,7,12,16-tetramethyl-6-(methylamino)-15-[1-(methylamino)ethyl]pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-14-yl]oxy}oxane-2-carboxylic acidFormula:
C32H54O7N2Smiles:
CNC(C)C1C(OC2OC(C(=O)O)C(O)C(O)C2O)CC2(C)C3CCC4C(C)(C)C(NC)CCC45CC35CCC12CAglycone:
CNC(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(NC)CCC45CC35CCC12CSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 6 |
| MolWt: | 578.79 | Num_heavy_atoms: | 41 |
| TPSA: | 140.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD57127
Formula: C26H46ON2
Smiles:
CNC(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(NC)CCC45CC35CCC12C| HBA: | 3 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 4.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 402.67 | Num_heavy_atoms: | 29 |
| TPSA: | 44.29 | NumAromaticRings: | 0 |
