Glycoside
GD005078
Name:
NoneFormula:
C34H36O8N2Smiles:
C#CC=CCO[C@H](C(=O)N[C@@H]1c2ccccc2C[C@H]1O)[C@@H](O)[C@@H](O)[C@H](OCC=CC#C)C(=O)N[C@@H]1c2ccccc2C[C@H]1OAglycone:
C#CC=CC.C#CC=CC.NC1c2ccccc2CC1O.NC1c2ccccc2CC1OSugarmoiety:
O=C(O)C(OO)C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 13 |
| MolWt: | 600.67 | Num_heavy_atoms: | 44 |
| TPSA: | 157.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD00740
Formula: C9H11ON
Smiles:
NC1c2ccccc2CC1O| HBA: | 2 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 0 |
| MolWt: | 149.19 | Num_heavy_atoms: | 11 |
| TPSA: | 46.25 | NumAromaticRings: | 1 |
AD04347
Formula: C5H6
Smiles:
C#CC=CC| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 66.1 | Num_heavy_atoms: | 5 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
