Glycoside
GD031134
Name:
NoneFormula:
C36H43O12N7Smiles:
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)Cc5nnn[nH]5)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)Cc2nnn[nH]2)c1OSugarmoiety:
COC1C(OC(N)=O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 12 |
| MolWt: | 765.78 | Num_heavy_atoms: | 55 |
| TPSA: | 274.78 | NumAromaticRings: | 4 |
Unique Aglycone
AD20081
Formula: C27H28O7N6
Smiles:
CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O)c(C)c3oc2=O)cc(CN(C)C(=O)Cc2nnn[nH]2)c1O| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 8 |
| MolWt: | 548.56 | Num_heavy_atoms: | 40 |
| TPSA: | 194.77 | NumAromaticRings: | 4 |
