Glycoside
GD154636
Name:
20-hydroxy-6,10,23-trimethyl-10-{[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:
C33H53O8NSmiles:
CC1CCC2N(C1)CC1C3CC4C(CC(=O)C5CC(O)CCC54C)C3CCC1C2(C)OC1OC(CO)C(O)C(O)C1OAglycone:
CC1CCC2N(C1)CC1C3CC4C(CC(=O)C5CC(O)CCC54C)C3CCC1C2(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 591.79 | Num_heavy_atoms: | 42 |
| TPSA: | 139.92 | NumAromaticRings: | 0 |
Unique Aglycone
AD01255
Formula: C27H43O3N
Smiles:
CC1CCC2N(C1)CC1C3CC4C(CC(=O)C5CC(O)CCC54C)C3CCC1C2(C)O| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.96 |
| AlogP: | 3.89 | Num_rotatable_bonds: | 0 |
| MolWt: | 429.65 | Num_heavy_atoms: | 31 |
| TPSA: | 60.77 | NumAromaticRings: | 0 |
