Glycoside
GD020879
Name:
COUMABIOCIN EFormula:
C31H36O12N2Smiles:
C=C(C)C(O)Cc1cc(C(=O)Nc2c(O)c3ccc(O[C@@H]4OC(C)(C)[C@H](OC)[C@H](OC(N)=O)[C@H]4O)c(C)c3oc2=O)ccc1OAglycone:
C=C(C)C(O)Cc1cc(C(=O)Nc2c(O)c3ccc(O)c(C)c3oc2=O)ccc1OSugarmoiety:
COC1C(OC(N)=O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.39 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 9 |
| MolWt: | 628.63 | Num_heavy_atoms: | 45 |
| TPSA: | 220.24 | NumAromaticRings: | 3 |
Unique Aglycone
AD14344
Formula: C22H21O7N
Smiles:
C=C(C)C(O)Cc1cc(C(=O)Nc2c(O)c3ccc(O)c(C)c3oc2=O)ccc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.18 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 5 |
| MolWt: | 411.41 | Num_heavy_atoms: | 30 |
| TPSA: | 140.23 | NumAromaticRings: | 3 |
