Glycoside
GD148494
Name:
8-(1,2-dihydroxy-2-methylpropyl)-2-hydroxy-4,6,12,17,17-pentamethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]-9-azahexacyclo[11.9.0.0¹,²¹.0â´,¹².0âµ,¹â°.0¹â¶,²¹]docos-13-en-9-ium-8-ylFormula:
C35H51O8NSmiles:
Cc1cc(C(O)C(C)(C)O)nc2c1C1(C)CC(O)C34CC35CCC(OC3[O+]CC(O)C(O)C3O)C(C)(C)C5CC=C4C1(C)C2Aglycone:
Cc1cc(C(O)C(C)(C)O)nc2c1C1(C)CC(O)C34CC35CCC(O)C(C)(C)C5CC=C4C1(C)C2Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.8 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 613.79 | Num_heavy_atoms: | 44 |
| TPSA: | 154.8 | NumAromaticRings: | 1 |
Unique Aglycone
AD59419
Formula: C30H43O4N
Smiles:
Cc1cc(C(O)C(C)(C)O)nc2c1C1(C)CC(O)C34CC35CCC(O)C(C)(C)C5CC=C4C1(C)C2| HBA: | 5 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 481.68 | Num_heavy_atoms: | 35 |
| TPSA: | 93.81 | NumAromaticRings: | 1 |
