Glycoside
GD111311
Name:
NoneFormula:
C31H28O15N2Smiles:
COc1cc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC(C)=OAglycone:
COc1cc(C=O)ccc1OC(C)=O.COc1cc(C=O)ccc1OC(C)=O.Cc1ccc([N+](=O)[O-])cc1NSugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.23 |
| AlogP: | 3.25 | Num_rotatable_bonds: | 13 |
| MolWt: | 668.56 | Num_heavy_atoms: | 48 |
| TPSA: | 233.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD02067
Formula: C7H8O2N2
Smiles:
Cc1ccc([N+](=O)[O-])cc1N| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 69.16 | NumAromaticRings: | 1 |
AD44411
Formula: C10H10O4
Smiles:
COc1cc(C=O)ccc1OC(C)=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 52.6 | NumAromaticRings: | 1 |
