Glycoside
GD034245
Name:
NoneFormula:
C18H23O12N2ClSmiles:
CC(=O)OCC1CC(OC(C)=O)(OC(C)=O)C(OC(C)=O)C(OC(=O)N(CCCl)N=O)O1Aglycone:
COC(C)=O.O=NN(CCCl)C(=O)OSugarmoiety:
CC(=O)OC1C(O)OC(O)CC1(OC(C)=O)OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.71 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 9 |
| MolWt: | 482.83 | Num_heavy_atoms: | 32 |
| TPSA: | 173.4 | NumAromaticRings: | 0 |
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 |
AD21790
Formula: C4H5O3N2Cl
Smiles:
O=NN(CCCl)C(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 152.54 | Num_heavy_atoms: | 9 |
| TPSA: | 69.97 | NumAromaticRings: | 0 |
