Glycoside
GD141375
Name:
Coumabiocin AFormula:
C31H36O12N2Smiles:
COC1C(OC(=N)O)C(O)C(Oc2ccc3c(O)c(N=C(O)c4ccc5c(c4)CC(C(C)(C)O)O5)c(=O)oc3c2C)OC1(C)CAglycone:
Cc1c(O)ccc2c(O)c(N=C(O)c3ccc4c(c3)CC(C(C)(C)O)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: | 3.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 628.63 | Num_heavy_atoms: | 45 |
| TPSA: | 213.72 | NumAromaticRings: | 3 |
Unique Aglycone
AD56962
Formula: C22H21O7N
Smiles:
Cc1c(O)ccc2c(O)c(N=C(O)c3ccc4c(c3)CC(C(C)(C)O)O4)c(=O)oc12| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.27 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 411.41 | Num_heavy_atoms: | 30 |
| TPSA: | 132.72 | NumAromaticRings: | 3 |
