Glycoside
GD024652
Name:
COMABIOCIN BFormula:
C31H36O11N2Smiles:
CO[C@@H]1[C@H](OC(N)=O)[C@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc5c(c4)CC(C(C)C)O5)c(=O)oc3c2C)OC1(C)CAglycone:
Cc1c(O)ccc2c(O)c(NC(=O)c3ccc4c(c3)CC(C(C)C)O4)c(=O)oc12Sugarmoiety:
COC1C(OC(N)=O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 612.63 | Num_heavy_atoms: | 44 |
| TPSA: | 189.01 | NumAromaticRings: | 3 |
Unique Aglycone
AD16430
Formula: C22H21O6N
Smiles:
Cc1c(O)ccc2c(O)c(NC(=O)c3ccc4c(c3)CC(C(C)C)O4)c(=O)oc12| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 3.72 | Num_rotatable_bonds: | 3 |
| MolWt: | 395.41 | Num_heavy_atoms: | 29 |
| TPSA: | 109.0 | NumAromaticRings: | 3 |
