Glycoside
GD133557
Name:
6,9,10,23-tetramethyl-20-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-azahexacyclo[12.11.0.0²,¹¹.0â´,â¹.0¹âµ,²â´.0¹â¸,²³]pentacosan-17-oneFormula:
C34H55O7NSmiles:
CC1CCC2(C)C(C)C3CCC4C(CC5C4CC(=O)C4CC(OC6OC(CO)C(O)C(O)C6O)CCC45C)C3CN2C1Aglycone:
CC1CCC2(C)C(C)C3CCC4C(CC5C4CC(=O)C4CC(O)CCC45C)C3CN2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 589.81 | Num_heavy_atoms: | 42 |
| TPSA: | 119.69 | NumAromaticRings: | 0 |
Unique Aglycone
AD54047
Formula: C28H45O2N
Smiles:
CC1CCC2(C)C(C)C3CCC4C(CC5C4CC(=O)C4CC(O)CCC45C)C3CN2C1| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.96 |
| AlogP: | 5.16 | Num_rotatable_bonds: | 0 |
| MolWt: | 427.67 | Num_heavy_atoms: | 31 |
| TPSA: | 40.54 | NumAromaticRings: | 0 |
