Glycoside

GD034476
Name:
NoneFormula:
C44H62O6N4Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](OCCCCCCc3ccc4ccccc4c3)[C@H]2O)[C@H](N)[C@H](OCCCCCCc2ccc3ccccc3c2)[C@H]1OAglycone:
NC1CC(N)C(OCCCCCCc2ccc3ccccc3c2)C(O)C1O.OCCCCCCc1ccc2ccccc2c1Sugarmoiety:
NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 6 |
HBD: | 10 | FractionCSP3: | 0.55 |
AlogP: | 4.85 | Num_rotatable_bonds: | 19 |
MolWt: | 743.0 | Num_heavy_atoms: | 54 |
TPSA: | 181.46 | NumAromaticRings: | 4 |
Unique Aglycone
AD21913
Formula: C22H32O3N2
Smiles:
NC1CC(N)C(OCCCCCCc2ccc3ccccc3c2)C(O)C1OHBA: | 5 | RingCount: | 3 |
HBD: | 6 | FractionCSP3: | 0.55 |
AlogP: | 2.11 | Num_rotatable_bonds: | 8 |
MolWt: | 372.51 | Num_heavy_atoms: | 27 |
TPSA: | 101.73 | NumAromaticRings: | 2 |
AD21914
Formula: C16H20O
Smiles:
OCCCCCCc1ccc2ccccc2c1HBA: | 1 | RingCount: | 2 |
HBD: | 1 | FractionCSP3: | 0.38 |
AlogP: | 3.94 | Num_rotatable_bonds: | 6 |
MolWt: | 228.34 | Num_heavy_atoms: | 17 |
TPSA: | 20.23 | NumAromaticRings: | 2 |