Glycoside
GD002578
Name:
NoneFormula:
C37H48O12N4Smiles:
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)CN(C)C)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)CN(C)C)c1OSugarmoiety:
COC1C(OC(N)=O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 12 |
| MolWt: | 740.81 | Num_heavy_atoms: | 53 |
| TPSA: | 223.56 | NumAromaticRings: | 3 |
Unique Aglycone
AD02446
Formula: C28H33O7N3
Smiles:
CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O)c(C)c3oc2=O)cc(CN(C)C(=O)CN(C)C)c1O| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 8 |
| MolWt: | 523.59 | Num_heavy_atoms: | 38 |
| TPSA: | 143.55 | NumAromaticRings: | 3 |
