Glycoside
GD038603
Name:
n,n-[2,5-o-[dibenzyl]-glucaryl]-di-[isoleucyl-amido-methane]Formula:
C34H50O8N4Smiles:
CC[C@H](C)[C@@H](NC(=O)[C@@H](OCc1ccccc1)[C@@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@@H](C(=O)NC)[C@H](C)CC)C(=O)NCAglycone:
CCC(C)C(N)C(=O)NC.CCC(C)C(N)C(=O)NC.Cc1ccccc1.Cc1ccccc1Sugarmoiety:
O=C(O)C(OO)C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 19 |
| MolWt: | 642.79 | Num_heavy_atoms: | 46 |
| TPSA: | 175.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD00274
Formula: C7H8
Smiles:
Cc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 92.14 | Num_heavy_atoms: | 7 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
AD01834
Formula: C7H16ON2
Smiles:
CCC(C)C(N)C(=O)NC| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 144.22 | Num_heavy_atoms: | 10 |
| TPSA: | 55.12 | NumAromaticRings: | 0 |
