Glycoside

GD010630
Name:
NoneFormula:
C34H42O6N4Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](OCc3ccc4ccccc4c3)[C@H]2O)[C@H](N)[C@H](OCc2ccc3ccccc3c2)[C@H]1OAglycone:
NC1CC(N)C(OCc2ccc3ccccc3c2)C(O)C1O.OCc1ccc2ccccc2c1Sugarmoiety:
NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 6 |
HBD: | 10 | FractionCSP3: | 0.41 |
AlogP: | 1.64 | Num_rotatable_bonds: | 9 |
MolWt: | 602.73 | Num_heavy_atoms: | 44 |
TPSA: | 181.46 | 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 |