Glycoside
GD035533
Name:
NoneFormula:
C31H36O12N2Smiles:
CO[C@@H]1[C@H](OC(N)=O)[C@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4cc(O)c(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)cc(O)c1OSugarmoiety:
COC1C(OC(N)=O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.39 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 8 |
| MolWt: | 628.63 | Num_heavy_atoms: | 45 |
| TPSA: | 220.24 | NumAromaticRings: | 3 |
Unique Aglycone
AD18958
Formula: C22H21O7N
Smiles:
CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O)c(C)c3oc2=O)cc(O)c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.18 |
| AlogP: | 3.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 411.41 | Num_heavy_atoms: | 30 |
| TPSA: | 140.23 | NumAromaticRings: | 3 |
