Glycoside
GD139471
Name:
6-({6-amino-7,7,12,16-tetramethyl-15-[1-(methylamino)ethyl]pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-14-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C31H52O7N2Smiles:
CNC(C)C1C(OC2OC(C(=O)O)C(O)C(O)C2O)CC2(C)C3CCC4C(C)(C)C(N)CCC45CC35CCC12CAglycone:
CNC(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(N)CCC45CC35CCC12CSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.97 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 564.76 | Num_heavy_atoms: | 40 |
| TPSA: | 154.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD56239
Formula: C25H44ON2
Smiles:
CNC(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(N)CCC45CC35CCC12C| HBA: | 3 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 4.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 388.64 | Num_heavy_atoms: | 28 |
| TPSA: | 58.28 | NumAromaticRings: | 0 |
