Glycoside
GD132458
Name:
Cystomanamide DFormula:
C34H54O13N6Smiles:
CC(C)CCCCCC(CC(O)=NC(CC(=N)O)C(O)=NC(C(O)=NC(Cc1ccccc1)C(=O)O)C(O)C(=N)O)NCC1(O)OCC(O)C(O)C1OAglycone:
CNC(CCCCCC(C)C)CC(O)=NC(CC(=N)O)C(O)=NC(C(O)=NC(Cc1ccccc1)C(=O)O)C(O)C(=N)OSugarmoiety:
OC1COC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 2 |
| HBD: | 14 | FractionCSP3: | 0.65 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 23 |
| MolWt: | 754.84 | Num_heavy_atoms: | 53 |
| TPSA: | 345.64 | NumAromaticRings: | 1 |
Unique Aglycone
AD53633
Formula: C29H46O8N6
Smiles:
CNC(CCCCCC(C)C)CC(O)=NC(CC(=N)O)C(O)=NC(C(O)=NC(Cc1ccccc1)C(=O)O)C(O)C(=N)O| HBA: | 14 | RingCount: | 1 |
| HBD: | 10 | FractionCSP3: | 0.59 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 21 |
| MolWt: | 606.72 | Num_heavy_atoms: | 43 |
| TPSA: | 255.49 | NumAromaticRings: | 1 |
