Glycoside
GD130338
Name:
Eco-0501Formula:
C46H68O10N4Smiles:
CC(=CC=CC=CC=CC=CC(C)C(OC1OC(C(=O)O)C(O)C(O)C1O)C(C)=CC(C)CCCC=CC(C)CC=CCCCN(C)C(=N)N)C(=O)NC1=C(O)CCC1=OAglycone:
CC(=CC=CC=CC=CC=CC(C)C(O)C(C)=CC(C)CCCC=CC(C)CC=CCCCN(C)C(=N)N)C(=O)NC1=C(O)CCC1=OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.52 |
| AlogP: | 5.82 | Num_rotatable_bonds: | 24 |
| MolWt: | 837.07 | Num_heavy_atoms: | 60 |
| TPSA: | 235.96 | NumAromaticRings: | 0 |
Unique Aglycone
AD52814
Formula: C40H60O4N4
Smiles:
CC(=CC=CC=CC=CC=CC(C)C(O)C(C)=CC(C)CCCC=CC(C)CC=CCCCN(C)C(=N)N)C(=O)NC1=C(O)CCC1=O| HBA: | 8 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | 7.9 | Num_rotatable_bonds: | 21 |
| MolWt: | 660.94 | Num_heavy_atoms: | 48 |
| TPSA: | 139.74 | NumAromaticRings: | 0 |
