Glycoside
GD016036
Name:
NoneFormula:
C38H47O14N3Smiles:
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)[C@H](C)OC(C)=O)c4)c(=O)oc3c2C)OC1(C)CAglycone:
CC(=O)OC(C)C(=O)N(C)Cc1cc(C(=O)Nc2c(O)c3ccc(O)c(C)c3oc2=O)cc(CC=C(C)C)c1OSugarmoiety:
COC1C(OC(N)=O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | 3.54 | Num_rotatable_bonds: | 12 |
| MolWt: | 769.8 | Num_heavy_atoms: | 55 |
| TPSA: | 246.62 | NumAromaticRings: | 3 |
Unique Aglycone
AD11590
Formula: C29H32O9N2
Smiles:
CC(=O)OC(C)C(=O)N(C)Cc1cc(C(=O)Nc2c(O)c3ccc(O)c(C)c3oc2=O)cc(CC=C(C)C)c1O| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 3.89 | Num_rotatable_bonds: | 8 |
| MolWt: | 552.58 | Num_heavy_atoms: | 40 |
| TPSA: | 166.61 | NumAromaticRings: | 3 |
