Glycoside
GD153650
Name:
SphaeranthanolideFormula:
C21H32O9Smiles:
CC1=C2C3OC(=O)C(C)C3(O)CCC2(C)CCC1OC1OC(CO)C(O)C(O)C1OAglycone:
CC1=C2C3OC(=O)C(C)C3(O)CCC2(C)CCC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 3 |
| MolWt: | 428.48 | Num_heavy_atoms: | 30 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD61081
Formula: C15H22O4
Smiles:
CC1=C2C3OC(=O)C(C)C3(O)CCC2(C)CCC1O| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 0 |
| MolWt: | 266.34 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
