Glycoside
GD150610
Name:
Sch 40832Formula:
C84H104O26N18S5Smiles:
C=C(N=C(O)C(=C)N=C(O)C1(CO)N=C(SC)C2CCC34N=C(O)C(=C)N=C(O)C(=C)N=C(O)C(=C)N=C(O)C(C(C)OC5CC(OC6CC(O)C(O)C(C)O6)C(O)C(C)O5)NC5C=Cc6c(C(C)O)cc(nc6C5O)C(=O)OC(C)C(N=C(O)c5csc(n5)C(C(C)(O)CC)N=C(O)C5CSC(=N5)C(=CC)N=C(O)C(C(C)O)N=C(O)c5csc3n5)c3nc(cs3)C4N21)C(=O)OCAglycone:
C=C(N=C(O)C(=C)N=C(O)C1(CO)N=C(SC)C2CCC34N=C(O)C(=C)N=C(O)C(=C)N=C(O)C(=C)N=C(O)C(C(C)O)NC5C=Cc6c(C(C)O)cc(nc6C5O)C(=O)OC(C)C(N=C(O)c5csc(n5)C(C(C)(O)CC)N=C(O)C5CSC(=N5)C(=CC)N=C(O)C(C(C)O)N=C(O)c5csc3n5)c3nc(cs3)C4N21)C(=O)OCSugarmoiety:
CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1OOther Identifiers
Properties
| HBA: | 44 | RingCount: | 12 |
| HBD: | 19 | FractionCSP3: | 0.5 |
| AlogP: | 7.28 | Num_rotatable_bonds: | 15 |
| MolWt: | 1942.19 | Num_heavy_atoms: | 133 |
| TPSA: | 668.81 | NumAromaticRings: | 4 |
Unique Aglycone
AD60145
Formula: C72H84O20N18S5
Smiles:
C=C(N=C(O)C(=C)N=C(O)C1(CO)N=C(SC)C2CCC34N=C(O)C(=C)N=C(O)C(=C)N=C(O)C(=C)N=C(O)C(C(C)O)NC5C=Cc6c(C(C)O)cc(nc6C5O)C(=O)OC(C)C(N=C(O)c5csc(n5)C(C(C)(O)CC)N=C(O)C5CSC(=N5)C(=CC)N=C(O)C(C(C)O)N=C(O)c5csc3n5)c3nc(cs3)C4N21)C(=O)OC| HBA: | 38 | RingCount: | 10 |
| HBD: | 17 | FractionCSP3: | 0.42 |
| AlogP: | 7.52 | Num_rotatable_bonds: | 11 |
| MolWt: | 1681.9 | Num_heavy_atoms: | 115 |
| TPSA: | 591.43 | NumAromaticRings: | 4 |
