Glycoside
GD011390
Name:
NoneFormula:
C27H30O11N2Smiles:
O=C(O)CNC(=O)C(CC1OC(CO)C(O)C(O)C1O)N(CC(=O)O)C(=O)c1cccc2c1Cc1ccccc1-2Aglycone:
CC(C(=O)NCC(=O)O)N(CC(=O)O)C(=O)c1cccc2c1Cc1ccccc1-2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 10 |
| MolWt: | 558.54 | Num_heavy_atoms: | 40 |
| TPSA: | 214.16 | NumAromaticRings: | 2 |
Unique Aglycone
AD08712
Formula: C21H20O6N2
Smiles:
CC(C(=O)NCC(=O)O)N(CC(=O)O)C(=O)c1cccc2c1Cc1ccccc1-2| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 396.4 | Num_heavy_atoms: | 29 |
| TPSA: | 124.01 | NumAromaticRings: | 2 |
