Glycoside
GD035611
Name:
COUMABIOCIN DFormula:
C31H36O12N2Smiles:
CO[C@@H]1[C@H](OC(N)=O)[C@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc5c(c4)CC(O)C(C)(C)O5)c(=O)oc3c2C)OC1(C)CAglycone:
Cc1c(O)ccc2c(O)c(NC(=O)c3ccc4c(c3)CC(O)C(C)(C)O4)c(=O)oc12Sugarmoiety:
COC1C(OC(N)=O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 628.63 | Num_heavy_atoms: | 45 |
| TPSA: | 209.24 | NumAromaticRings: | 3 |
Unique Aglycone
AD22522
Formula: C22H21O7N
Smiles:
Cc1c(O)ccc2c(O)c(NC(=O)c3ccc4c(c3)CC(O)C(C)(C)O4)c(=O)oc12| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.27 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 411.41 | Num_heavy_atoms: | 30 |
| TPSA: | 129.23 | NumAromaticRings: | 3 |
