Glycoside
GD033230
Name:
6,10,23-trimethyl-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:
C33H53O7NSmiles:
C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@@H]5CC(=O)[C@@H]6C[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)CC[C@@]6(C)[C@H]5C[C@H]4[C@H]3CN2C1Aglycone:
CC1CCC2C(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: | 2.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 575.79 | Num_heavy_atoms: | 41 |
| TPSA: | 119.69 | NumAromaticRings: | 0 |
Unique Aglycone
AD19561
Formula: C27H43O2N
Smiles:
CC1CCC2C(C)C3CCC4C(CC5C4CC(=O)C4CC(O)CCC45C)C3CN2C1| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.96 |
| AlogP: | 4.77 | Num_rotatable_bonds: | 0 |
| MolWt: | 413.65 | Num_heavy_atoms: | 30 |
| TPSA: | 40.54 | NumAromaticRings: | 0 |
