Glycoside
GD038599
Name:
[5-(2-hydroxy-indan-1-ylcarbamoyl)-3,4-dihydroxy-2,5-[dibenzyl-oxy]-pentanoyl]-valinyl-amido-methaneFormula:
C35H43O8N3Smiles:
CNC(=O)[C@H](NC(=O)[C@@H](OCc1ccccc1)[C@@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O)C(C)CAglycone:
CNC(=O)C(N)C(C)C.Cc1ccccc1.Cc1ccccc1.NC1c2ccccc2CC1OSugarmoiety:
O=C(O)C(OO)C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 15 |
| MolWt: | 633.74 | Num_heavy_atoms: | 46 |
| TPSA: | 166.45 | NumAromaticRings: | 3 |
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 |
AD00511
Formula: C6H14ON2
Smiles:
CNC(=O)C(N)C(C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 130.19 | Num_heavy_atoms: | 9 |
| TPSA: | 55.12 | NumAromaticRings: | 0 |
AD00740
Formula: C9H11ON
Smiles:
NC1c2ccccc2CC1O| HBA: | 2 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 0 |
| MolWt: | 149.19 | Num_heavy_atoms: | 11 |
| TPSA: | 46.25 | NumAromaticRings: | 1 |
