Glycoside
GD038600
Name:
n,n-[2,5-o-di-2-fluoro-benzyl-glucaryl]-di-[1-amino-indan-2-ol]Formula:
C38H38O8N2F2Smiles:
O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@@H](OCc1ccccc1F)[C@@H](O)[C@@H](O)[C@@H](OCc1ccccc1F)C(=O)N[C@@H]1c2ccccc2C[C@H]1OAglycone:
Cc1ccccc1F.Cc1ccccc1F.NC1c2ccccc2CC1O.NC1c2ccccc2CC1OSugarmoiety:
O=C(O)C(OO)C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 13 |
| MolWt: | 688.72 | Num_heavy_atoms: | 50 |
| TPSA: | 157.58 | NumAromaticRings: | 4 |
Unique Aglycone
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 |
AD01927
Formula: C7H7F
Smiles:
Cc1ccccc1F| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.13 | Num_heavy_atoms: | 8 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
