Glycoside
GD025668
Name:
NoneFormula:
C25H27O8NSmiles:
CC1(C)c2cc(OC[C@H](O)[C@H](O)CO)ccc2C(=O)c2c1[nH]c1cc(C(=O)OCCO)ccc21Aglycone:
CC1(C)c2ccccc2C(=O)c2c1[nH]c1cc(C(=O)OCCO)ccc21Sugarmoiety:
OCC(O)C(O)COOOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 8 |
| MolWt: | 469.49 | Num_heavy_atoms: | 34 |
| TPSA: | 149.31 | NumAromaticRings: | 3 |
Unique Aglycone
AD16998
Formula: C21H19O4N
Smiles:
CC1(C)c2ccccc2C(=O)c2c1[nH]c1cc(C(=O)OCCO)ccc21| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 349.39 | Num_heavy_atoms: | 26 |
| TPSA: | 79.39 | NumAromaticRings: | 3 |
