Glycoside
GD115502
Name:
TinocordifoliosideFormula:
C21H32O8Smiles:
CC1=CC(=O)C2(C)C(CC1)C(C(C)(C)OC1OC(CO)C(O)C(O)C1O)C1OC12Aglycone:
CC1=CC(=O)C2(C)C(CC1)C(C(C)(C)O)C1OC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 412.48 | Num_heavy_atoms: | 29 |
| TPSA: | 128.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD45703
Formula: C15H22O3
Smiles:
CC1=CC(=O)C2(C)C(CC1)C(C(C)(C)O)C1OC12| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 250.34 | Num_heavy_atoms: | 18 |
| TPSA: | 49.83 | NumAromaticRings: | 0 |
