Glycoside
GD038017
Name:
n,n-[2,5-o-dibenzyl-glucaryl]-di-[1-amino-indan-2-ol]Formula:
C34H40O9N2Smiles:
O=C(N[C@H]1CO[C@H](CO)C1)[C@H](OCc1ccccc1)[C@@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1OAglycone:
Cc1ccccc1.Cc1ccccc1.NC1COC(CO)C1.NC1c2ccccc2CC1OSugarmoiety:
O=C(O)C(OO)C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 14 |
| MolWt: | 620.7 | Num_heavy_atoms: | 45 |
| TPSA: | 166.81 | 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 |
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 |
AD23829
Formula: C5H11O2N
Smiles:
NC1COC(CO)C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 117.15 | Num_heavy_atoms: | 8 |
| TPSA: | 55.48 | NumAromaticRings: | 0 |
