Glycoside
GD130791
Name:
[c141,manac0]hassallidin dFormula:
C79H121O33N11Smiles:
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)OC2OCC(O)C(OC3OC(CO)C(O)C(O)C3N=C(C)O)C2O)C(C)O)C(C)OC(=O)C(Cc2ccc(O)cc2)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(Cc2ccc(O)cc2)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: | 6 |
| HBD: | 25 | FractionCSP3: | 0.67 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 34 |
| MolWt: | 1752.88 | Num_heavy_atoms: | 123 |
| TPSA: | 722.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD50899
Formula: C60H90O19N10
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(Cc2ccc(O)cc2)N=C(O)C(C(C)O)N(C)C(=O)CN=C(O)C(CCC(=N)O)N=C1O| HBA: | 29 | RingCount: | 3 |
| HBD: | 17 | FractionCSP3: | 0.58 |
| AlogP: | 5.52 | Num_rotatable_bonds: | 25 |
| MolWt: | 1255.43 | Num_heavy_atoms: | 89 |
| TPSA: | 493.02 | NumAromaticRings: | 2 |
