Glycoside
GD146394
Name:
Tpu-0031-AFormula:
C30H34O11N2Smiles:
COC1C(OC(=N)O)C(O)C(Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2)OC1(C)CAglycone:
CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O)cc3oc2=O)ccc1OSugarmoiety:
COC1C(OC(=N)O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | 3.73 | Num_rotatable_bonds: | 8 |
| MolWt: | 598.61 | Num_heavy_atoms: | 43 |
| TPSA: | 201.0 | NumAromaticRings: | 3 |
Unique Aglycone
AD44679
Formula: C21H19O6N
Smiles:
CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O)cc3oc2=O)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.14 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 381.38 | Num_heavy_atoms: | 28 |
| TPSA: | 120.0 | NumAromaticRings: | 3 |
