Glycoside
GD022232
Name:
DESMETHYLELEUTHEROBINFormula:
C34H46O10N2Smiles:
CC(=O)O[C@@H]1[C@H](OCC2=C[C@@H]3[C@H](C[C@H](OC(=O)C=Cc4cn(C)cn4)[C@]4(C)C=C[C@@]2(O)O4)C(C)=CC[C@H]3C(C)C)OC[C@H](O)[C@H]1OAglycone:
CC1=CCC(C(C)C)C2C=C(CO)C3(O)C=CC(C)(O3)C(OC(=O)C=Cc3cn(C)cn3)CC12Sugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 8 |
| MolWt: | 642.75 | Num_heavy_atoms: | 46 |
| TPSA: | 158.8 | NumAromaticRings: | 1 |
Unique Aglycone
AD15097
Formula: C27H36O5N2
Smiles:
CC1=CCC(C(C)C)C2C=C(CO)C3(O)C=CC(C)(O3)C(OC(=O)C=Cc3cn(C)cn3)CC12| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 468.59 | Num_heavy_atoms: | 34 |
| TPSA: | 93.81 | NumAromaticRings: | 1 |
