Aglycone

AD08781
Formula: C98H127O31N23S4
Smiles:
C=C1CC(C2OCCN2C(=O)OCCSSCC(NC(=O)C(CCC(=O)NC)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)NC)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)NC)NC(=O)CCC(NC(=O)c2ccc(NCc3cnc4nc(N)[nH]c(=O)c4n3)cc2)C(=O)O)C(=O)O)N(C(=O)c2cc(OC)c(OCCCCCOc3cc(N)c(C(=O)N4CC(=C)CC4C4OCCN4C(=O)OCCSSc4ccccn4)cc3OC)cc2N)C1HBA: | 54 | RingCount: | 10 |
HBD: | 22 | FractionCSP3: | 0.48 |
AlogP: | 2.03 | Num_rotatable_bonds: | 61 |
MolWt: | 2251.49 | Num_heavy_atoms: | 156 |
TPSA: | 769.79 | NumAromaticRings: | 6 |