Glycoside
GD027384
Name:
NoneFormula:
C31H38O12N2Smiles:
COC1C(O[C@@H]2c3c(cc4c(c3O)C(=O)c3c(O)c(N(C)C)cc(N(C)C)c3C4=O)C(=O)[C@@](C)(O)[C@H]2OC)OC(C)C(O)C1OAglycone:
COC1C(O)c2c(cc3c(c2O)C(=O)c2c(O)c(N(C)C)cc(N(C)C)c2C3=O)C(=O)C1(C)OSugarmoiety:
COC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 6 |
| MolWt: | 630.65 | Num_heavy_atoms: | 45 |
| TPSA: | 195.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD18000
Formula: C24H26O8N2
Smiles:
COC1C(O)c2c(cc3c(c2O)C(=O)c2c(O)c(N(C)C)cc(N(C)C)c2C3=O)C(=O)C1(C)O| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 470.48 | Num_heavy_atoms: | 34 |
| TPSA: | 147.84 | NumAromaticRings: | 2 |
