Glycoside
GD101516
Name:
NoneFormula:
C21H26O10N2Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ccc3c(n2)COC3)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.Nc1ccc2c(n1)COC2Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.57 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 7 |
| MolWt: | 466.44 | Num_heavy_atoms: | 33 |
| TPSA: | 148.58 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD42973
Formula: C7H8ON2
Smiles:
Nc1ccc2c(n1)COC2| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 0 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 48.14 | NumAromaticRings: | 1 |
