Glycoside
GD122617
Name:
NoneFormula:
C31H33O11NSmiles:
CC(=O)Oc1ccc2c(c1)C(=O)c1c(CC3=CCN=C3)c(OC3OC(C)C(O)C(O)C3O)c(CCCCO)c(O)c1C2=OAglycone:
CC(=O)Oc1ccc2c(c1)C(=O)c1c(CC3=CCN=C3)c(O)c(CCCCO)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 9 |
| MolWt: | 595.6 | Num_heavy_atoms: | 43 |
| TPSA: | 192.41 | NumAromaticRings: | 2 |
Unique Aglycone
AD49429
Formula: C25H23O7N
Smiles:
CC(=O)Oc1ccc2c(c1)C(=O)c1c(CC3=CCN=C3)c(O)c(CCCCO)c(O)c1C2=O| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.28 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 449.46 | Num_heavy_atoms: | 33 |
| TPSA: | 133.49 | NumAromaticRings: | 2 |
