Glycoside
GD119946
Name:
2-{[8-(1,2-dihydroxy-2-methylpropyl)-2-hydroxy-4,6,12,17-tetramethyl-9-azahexacyclo[11.9.0.0¹,²¹.0â´,¹².0âµ,¹â°.0¹â¶,²¹]docosa-5,7,9-trien-17-yl]oxy}oxane-3,4,5-triolFormula:
C34H51O8NSmiles:
Cc1cc(C(O)C(C)(C)O)nc2c1C1(C)CC(O)C34CC35CCCC(C)(OC3OCC(O)C(O)C3O)C5CCC4C1(C)C2Aglycone:
Cc1cc(C(O)C(C)(C)O)nc2c1C1(C)CC(O)C34CC35CCCC(C)(O)C5CCC4C1(C)C2Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 601.78 | Num_heavy_atoms: | 43 |
| TPSA: | 152.73 | NumAromaticRings: | 1 |
Unique Aglycone
AD48136
Formula: C29H43O4N
Smiles:
Cc1cc(C(O)C(C)(C)O)nc2c1C1(C)CC(O)C34CC35CCCC(C)(O)C5CCC4C1(C)C2| HBA: | 5 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 4.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 469.67 | Num_heavy_atoms: | 34 |
| TPSA: | 93.81 | NumAromaticRings: | 1 |
