Glycoside
GD009562
Name:
NoneFormula:
C35H42O9N2Smiles:
CC(C)C(C(=O)O)N(C)C(=O)[C@H](OCc1ccccc1)[C@H](O)[C@H](O)[C@H](OCc1ccccc1)C(=O)NC1c2ccccc2C[C@H]1OAglycone:
CNC(C(=O)O)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: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 15 |
| MolWt: | 634.73 | Num_heavy_atoms: | 46 |
| TPSA: | 165.86 | 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 |
AD00278
Formula: C6H13O2N
Smiles:
CNC(C(=O)O)C(C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 131.17 | Num_heavy_atoms: | 9 |
| TPSA: | 49.33 | 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 |
