Glycoside
GD031137
Name:
NoneFormula:
C40H45O12N3Smiles:
CO[C@@H]1[C@H](OC(N)=O)[C@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4cc(CC=C(C)C)c(O)c(CN(C)C(=O)c5ccccc5)c4)c(=O)oc3c2C)OC1(C)CAglycone:
CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O)c(C)c3oc2=O)cc(CN(C)C(=O)c2ccccc2)c1OSugarmoiety:
COC1C(OC(N)=O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 4.9 | Num_rotatable_bonds: | 11 |
| MolWt: | 759.81 | Num_heavy_atoms: | 55 |
| TPSA: | 220.32 | NumAromaticRings: | 4 |
Unique Aglycone
AD20083
Formula: C31H30O7N2
Smiles:
CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O)c(C)c3oc2=O)cc(CN(C)C(=O)c2ccccc2)c1O| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.19 |
| AlogP: | 5.25 | Num_rotatable_bonds: | 7 |
| MolWt: | 542.59 | Num_heavy_atoms: | 40 |
| TPSA: | 140.31 | NumAromaticRings: | 4 |
