Glycoside
GD118278
Name:
37-40Formula:
C78H128O32N12Smiles:
CC=C1N=C(O)C(Cc2ccc(O)cc2)N=C(O)C(C(C)O)N=C(O)C(N=C(O)C(N=C(O)C(O)C(CCCCCCCCCCCCC)OC2OCC(O)C(OC3OC(CO)C(O)C(O)C3N=C(C)O)C2O)C(C)O)C(C)OC(=O)C(CCCCN)N=C(O)C(C(C)OC2OC(CO)C(O)C(O)C2O)N(C)C(=O)CN=C(O)C(CCC(=N)O)N=C1OAglycone:
CC=C1N=C(O)C(Cc2ccc(O)cc2)N=C(O)C(C(C)O)N=C(O)C(N=C(O)C(N=C(O)C(O)C(O)CCCCCCCCCCCCC)C(C)O)C(C)OC(=O)C(CCCCN)N=C(O)C(C(C)O)N(C)C(=O)CN=C(O)C(CCC(=N)O)N=C1OSugarmoiety:
CC(O)=NC1C(OC2C(O)COC(O)C2O)OC(CO)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 44 | RingCount: | 5 |
| HBD: | 26 | FractionCSP3: | 0.74 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 38 |
| MolWt: | 1745.93 | Num_heavy_atoms: | 122 |
| TPSA: | 728.39 | NumAromaticRings: | 1 |
Unique Aglycone
AD47279
Formula: C59H97O18N11
Smiles:
CC=C1N=C(O)C(Cc2ccc(O)cc2)N=C(O)C(C(C)O)N=C(O)C(N=C(O)C(N=C(O)C(O)C(O)CCCCCCCCCCCCC)C(C)O)C(C)OC(=O)C(CCCCN)N=C(O)C(C(C)O)N(C)C(=O)CN=C(O)C(CCC(=N)O)N=C1O| HBA: | 29 | RingCount: | 2 |
| HBD: | 18 | FractionCSP3: | 0.68 |
| AlogP: | 5.48 | Num_rotatable_bonds: | 29 |
| MolWt: | 1248.48 | Num_heavy_atoms: | 88 |
| TPSA: | 498.81 | NumAromaticRings: | 1 |
