Glycoside
GD110580
Name:
3a,5a-dihydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbonitrileFormula:
C30H43O8NSmiles:
CO[C@H]1C[C@H](O[C@@H]2CC[C@]3(C#N)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@]3(O)C2)O[C@H](C)[C@H]1OAglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C#N)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 4 |
| MolWt: | 545.67 | Num_heavy_atoms: | 39 |
| TPSA: | 138.47 | NumAromaticRings: | 0 |
Unique Aglycone
AD44566
Formula: C23H31O5N
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C#N)C1(O)CCC2C1=CC(=O)OC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 401.5 | Num_heavy_atoms: | 29 |
| TPSA: | 110.78 | NumAromaticRings: | 0 |
