Glycoside
GD034935
Name:
NoneFormula:
C37H58O12N4Smiles:
COC1=CCC(=O)O[C@H](C)CC=CC=C[C@H](O[C@@H]2CC[C@H](N(C)C)[C@H](C)O2)[C@H](C)C[C@@H]2C[C@H](OCc3cn([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)O[C@H]12Aglycone:
COC1=CCC(=O)OC(C)CC=CC=CC(OC2CCC(N(C)C)C(C)O2)C(C)CC2CC(OCC3=C[N]N=N3)OC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 9 |
| MolWt: | 750.89 | Num_heavy_atoms: | 53 |
| TPSA: | 196.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD21887
Formula: C31H47O7N4
Smiles:
COC1=CCC(=O)OC(C)CC=CC=CC(OC2CCC(N(C)C)C(C)O2)C(C)CC2CC(OCC3=C[N]N=N3)OC12| HBA: | 11 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.71 |
| AlogP: | 4.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 587.74 | Num_heavy_atoms: | 42 |
| TPSA: | 114.51 | NumAromaticRings: | 0 |
