Glycoside
GD153250
Name:
Cymbidine AFormula:
C39H63O20N7Smiles:
CC(O)=NC1C(OC2C3COC(O3)C(N=C(C)O)C2OC(C)C(O)=NC(C(O)=NC(CCC(O)=NC(CCCC(N)C(=O)O)C(O)=NC(C)C(=O)O)C(=O)O)C(C)C)OC(CO)C(O)C1OAglycone:
CC(O)=NC1C2OCC(O2)C(O)C1OC(C)C(O)=NC(C(O)=NC(CCC(O)=NC(CCCC(N)C(=O)O)C(O)=NC(C)C(=O)O)C(=O)O)C(C)CSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 0.77 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 25 |
| MolWt: | 949.96 | Num_heavy_atoms: | 66 |
| TPSA: | 440.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD60965
Formula: C31H50O15N6
Smiles:
CC(O)=NC1C2OCC(O2)C(O)C1OC(C)C(O)=NC(C(O)=NC(CCC(O)=NC(CCCC(N)C(=O)O)C(O)=NC(C)C(=O)O)C(=O)O)C(C)C| HBA: | 21 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.74 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 21 |
| MolWt: | 746.77 | Num_heavy_atoms: | 52 |
| TPSA: | 348.79 | NumAromaticRings: | 0 |
