Aglycone

AD04741
Formula: C88H129O25N31S3
Smiles:
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(N(C(C)=O)C(=O)C(CS)NC(=O)C(CC(=O)O)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(CNC(=O)C(C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)CCS)NC(=O)C(C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)CCS)C(C)O)CC2HBA: | 56 | RingCount: | 6 |
HBD: | 32 | FractionCSP3: | 0.51 |
AlogP: | -8.57 | Num_rotatable_bonds: | 61 |
MolWt: | 2117.39 | Num_heavy_atoms: | 147 |
TPSA: | 857.14 | NumAromaticRings: | 5 |