Glycoside
GD137578
Name:
31-35Formula:
C68H109O28N11Smiles:
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(CCCCCCCCCCC)OC2OC(C)C(O)C(O)C2O)C(C)O)C(C)OC(=O)C(CCC(=N)O)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)CCCCCCCCCCC)C(C)O)C(C)OC(=O)C(CCC(=N)O)N=C(O)C(C(C)O)N(C)C(=O)CN=C(O)C(CCC(=N)O)N=C1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 39 | RingCount: | 4 |
| HBD: | 23 | FractionCSP3: | 0.71 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 31 |
| MolWt: | 1528.67 | Num_heavy_atoms: | 107 |
| TPSA: | 654.94 | NumAromaticRings: | 1 |
Unique Aglycone
AD55573
Formula: C56H89O19N11
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)CCCCCCCCCCC)C(C)O)C(C)OC(=O)C(CCC(=N)O)N=C(O)C(C(C)O)N(C)C(=O)CN=C(O)C(CCC(=N)O)N=C1O| HBA: | 30 | RingCount: | 2 |
| HBD: | 18 | FractionCSP3: | 0.64 |
| AlogP: | 4.89 | Num_rotatable_bonds: | 26 |
| MolWt: | 1220.39 | Num_heavy_atoms: | 86 |
| TPSA: | 516.87 | NumAromaticRings: | 1 |
