Glycoside
GD111434
Name:
NoneFormula:
C36H57O8N2Smiles:
C[C@H]1O[C@@H](O[C@H]2CC[C@]3(/C=N/CC[NH+]4CCCCC4)[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=NCC[NH+]3CCCCC3)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 7 |
| MolWt: | 645.86 | Num_heavy_atoms: | 46 |
| TPSA: | 142.48 | NumAromaticRings: | 0 |
Unique Aglycone
AD44716
Formula: C30H47O5N2
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C=NCC[NH+]3CCCCC3)C1(O)CCC2C1=CC(=O)OC1| HBA: | 7 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 5 |
| MolWt: | 515.72 | Num_heavy_atoms: | 37 |
| TPSA: | 103.79 | NumAromaticRings: | 0 |
