Glycoside
GD109768
Name:
NoneFormula:
C31H47O8N3SSmiles:
CO[C@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N/NC(N)=S)[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=NNC(N)=S)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.84 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 621.8 | Num_heavy_atoms: | 43 |
| TPSA: | 165.09 | NumAromaticRings: | 0 |
Unique Aglycone
AD44572
Formula: C24H35O5N3S
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C=NNC(N)=S)C1(O)CCC2C1=CC(=O)OC1| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.79 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 477.63 | Num_heavy_atoms: | 33 |
| TPSA: | 137.4 | NumAromaticRings: | 0 |
