Glycoside
GD110964
Name:
NoneFormula:
C32H32O13N2Smiles:
COc1cc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccc(N(C)C)cc2)ccc1OC(C)=OAglycone:
CN(C)c1ccc(N)cc1.COc1cc(C=O)ccc1OC(C)=O.COc1cc(C=O)ccc1OC(C)=OSugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 3.09 | Num_rotatable_bonds: | 13 |
| MolWt: | 652.61 | Num_heavy_atoms: | 47 |
| TPSA: | 193.3 | NumAromaticRings: | 3 |
Unique Aglycone
AD43961
Formula: C8H12N2
Smiles:
CN(C)c1ccc(N)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.2 | Num_heavy_atoms: | 10 |
| TPSA: | 29.26 | 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 |
