Glycoside
GD147617
Name:
NoneFormula:
C27H35O13NSmiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1C=CC1=CN(CCCC(=O)O)CC(C(=O)O)=C1Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1C=CC1=CN(CCCC(=O)O)CC(C(=O)O)=C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 12 |
| MolWt: | 581.57 | Num_heavy_atoms: | 41 |
| TPSA: | 212.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD59108
Formula: C21H25O8N
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1C=CC1=CN(CCCC(=O)O)CC(C(=O)O)=C1| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 9 |
| MolWt: | 419.43 | Num_heavy_atoms: | 30 |
| TPSA: | 133.6 | NumAromaticRings: | 0 |
