Glycoside
GD111775
Name:
NoneFormula:
C31H36O11N2Smiles:
CO[C@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)CAglycone:
CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O)c(C)c3oc2=O)ccc1OSugarmoiety:
COC1C(OC(N)=O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 8 |
| MolWt: | 612.63 | Num_heavy_atoms: | 44 |
| TPSA: | 200.01 | NumAromaticRings: | 3 |
Unique Aglycone
AD03234
Formula: C22H21O6N
Smiles:
CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O)c(C)c3oc2=O)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.18 |
| AlogP: | 3.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 395.41 | Num_heavy_atoms: | 29 |
| TPSA: | 120.0 | NumAromaticRings: | 3 |
