Glycoside
GD012092
Name:
NoneFormula:
C28H32O11N2Smiles:
O=C(O)CNC(=O)C(CC1OC(CO)C(O)C(O)C1O)N(CC(=O)O)C(=O)CC1c2ccccc2-c2ccccc21Aglycone:
CC(C(=O)NCC(=O)O)N(CC(=O)O)C(=O)CC1c2ccccc2-c2ccccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.43 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 11 |
| MolWt: | 572.57 | Num_heavy_atoms: | 41 |
| TPSA: | 214.16 | NumAromaticRings: | 2 |
Unique Aglycone
AD09138
Formula: C22H22O6N2
Smiles:
CC(C(=O)NCC(=O)O)N(CC(=O)O)C(=O)CC1c2ccccc2-c2ccccc21| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 8 |
| MolWt: | 410.43 | Num_heavy_atoms: | 30 |
| TPSA: | 124.01 | NumAromaticRings: | 2 |
