Glycoside
GD109649
Name:
7-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-3a,5a-dihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbonitrileFormula:
C29H41O8NSmiles:
C[C@@H]1O[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)C[C@@H](O)[C@H]1OAglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C#N)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 531.65 | Num_heavy_atoms: | 38 |
| TPSA: | 149.47 | 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 |
