Glycoside
GD139035
Name:
RaucaffricinFormula:
C27H32O8N2Smiles:
CC=C1C2CC3C4=Nc5ccccc5C45CC(C2C5OC(C)=O)N3C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC=C1C2CC3C4=Nc5ccccc5C45CC(C2C5OC(C)=O)N3C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.63 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 512.56 | Num_heavy_atoms: | 37 |
| TPSA: | 141.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD56077
Formula: C21H22O3N2
Smiles:
CC=C1C2CC3C4=Nc5ccccc5C45CC(C2C5OC(C)=O)N3C1O| HBA: | 5 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.52 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 350.42 | Num_heavy_atoms: | 26 |
| TPSA: | 62.13 | NumAromaticRings: | 1 |
