Glycoside

GD028761
Name:
NoneFormula:
C34H41O7N3Smiles:
N[C@H]1C[C@@H](N)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OCc3ccc4ccccc4c3)[C@H]2N)[C@@H](O)[C@H]1OCc1ccc2ccccc2c1Aglycone:
NC1CC(N)C(OCc2ccc3ccccc3c2)C(O)C1O.OCc1ccc2ccccc2c1Sugarmoiety:
NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 6 |
HBD: | 9 | FractionCSP3: | 0.41 |
AlogP: | 1.67 | Num_rotatable_bonds: | 9 |
MolWt: | 603.72 | Num_heavy_atoms: | 44 |
TPSA: | 175.67 | NumAromaticRings: | 4 |
Unique Aglycone
AD01045
Formula: C11H10O
Smiles:
OCc1ccc2ccccc2c1HBA: | 1 | RingCount: | 2 |
HBD: | 1 | FractionCSP3: | 0.09 |
AlogP: | 2.33 | Num_rotatable_bonds: | 1 |
MolWt: | 158.2 | Num_heavy_atoms: | 12 |
TPSA: | 20.23 | NumAromaticRings: | 2 |
AD06933
Formula: C17H22O3N2
Smiles:
NC1CC(N)C(OCc2ccc3ccccc3c2)C(O)C1OHBA: | 5 | RingCount: | 3 |
HBD: | 6 | FractionCSP3: | 0.41 |
AlogP: | 0.51 | Num_rotatable_bonds: | 3 |
MolWt: | 302.37 | Num_heavy_atoms: | 22 |
TPSA: | 101.73 | NumAromaticRings: | 2 |