Glycoside
GD123909
Name:
NoneFormula:
C39H57O15N7Smiles:
CCC(C)C(N=C(O)C(N=C(O)C(N=C(O)CCCCC(N)Cc1ccc(OC)cc1)C(OC1OC(C(=O)O)C(OC(=N)O)C(O)C1O)C1=NC(=O)N=C1)C(C)CC)C(=O)OAglycone:
CCC(C)C(N=C(O)C(N=C(O)C(N=C(O)CCCCC(N)Cc1ccc(OC)cc1)C(O)C1=NC(=O)N=C1)C(C)CC)C(=O)OSugarmoiety:
N=C(O)OC1C(C(=O)O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.62 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 24 |
| MolWt: | 863.92 | Num_heavy_atoms: | 61 |
| TPSA: | 361.64 | NumAromaticRings: | 1 |
Unique Aglycone
AD48947
Formula: C32H48O8N6
Smiles:
CCC(C)C(N=C(O)C(N=C(O)C(N=C(O)CCCCC(N)Cc1ccc(OC)cc1)C(O)C1=NC(=O)N=C1)C(C)CC)C(=O)O| HBA: | 14 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 20 |
| MolWt: | 644.77 | Num_heavy_atoms: | 46 |
| TPSA: | 232.34 | NumAromaticRings: | 1 |
