Aglycone

AD22497
Formula: C91H98O32N10Cl2S2
Smiles:
O=C1NC2C(=O)NC3c4cc(c(O)c(c4)Oc4ccc(cc4Cl)C(O)C4NC(=O)C(NC3O)c3ccc(O)c(c3)-c3c(O)cc(O)cc3C(C(=O)O)NC4=O)Oc3ccc(cc3Cl)CC1NC(=O)C(n1cc(COCCOCCOCCOCCN3C(=O)C(SCCOCCOCCOCCO)=C(SCCOCCOCCOCCO)C3=O)nn1)c1ccc(O)c(c1)Oc1cc(O)cc2c1HBA: | 42 | RingCount: | 15 |
HBD: | 17 | FractionCSP3: | 0.39 |
AlogP: | 4.66 | Num_rotatable_bonds: | 40 |
MolWt: | 1954.84 | Num_heavy_atoms: | 135 |
TPSA: | 585.21 | NumAromaticRings: | 8 |