Glycoside
GD108834
Name:
NoneFormula:
C30H33O11N3Smiles:
CC(=O)N[C@@H]1[C@H](O/N=C2\C(=O)N(CCOc3ccccc3)c3ccccc32)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.O=C1C(=NO)c2ccccc2N1CCOc1ccccc1Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 11 |
| MolWt: | 611.6 | Num_heavy_atoms: | 44 |
| TPSA: | 168.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD44495
Formula: C16H14O3N2
Smiles:
O=C1C(=NO)c2ccccc2N1CCOc1ccccc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 282.3 | Num_heavy_atoms: | 21 |
| TPSA: | 62.13 | NumAromaticRings: | 2 |
