Aglycone

AD54122
Formula: C33H50O8N5
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CCC3(CCCC3CNC)C2)C1C=CC1=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C1HBA: | 13 | RingCount: | 4 |
HBD: | 9 | FractionCSP3: | 0.61 |
AlogP: | -0.5 | Num_rotatable_bonds: | 14 |
MolWt: | 644.79 | Num_heavy_atoms: | 46 |
TPSA: | 198.44 | NumAromaticRings: | 0 |