Glycoside
GD136243
Name:
DesacetyleleutherobinFormula:
C33H46O9N2Smiles:
COC12C=CC(C)(O1)C(OC(=O)C=Cc1cn(C)cn1)CC1C(C)=CCC(C(C)C)C1C=C2COC1OCC(O)C(O)C1OAglycone:
COC12C=CC(C)(O1)C(OC(=O)C=Cc1cn(C)cn1)CC1C(C)=CCC(C(C)C)C1C=C2COSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.64 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 8 |
| MolWt: | 614.74 | Num_heavy_atoms: | 44 |
| TPSA: | 141.73 | NumAromaticRings: | 1 |
Unique Aglycone
AD04712
Formula: C28H38O5N2
Smiles:
COC12C=CC(C)(O1)C(OC(=O)C=Cc1cn(C)cn1)CC1C(C)=CCC(C(C)C)C1C=C2CO| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.57 |
| AlogP: | 4.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 482.62 | Num_heavy_atoms: | 35 |
| TPSA: | 82.81 | NumAromaticRings: | 1 |
