Glycoside
GD115876
Name:
1-[1-hydroxy-6-methoxy-3-methyl-8-({3,4,5-trihydroxy-6-[1-hydroxy-4-(methylamino)-3-phenylbutyl]oxan-2-yl}oxy)naphthalen-2-yl]ethan-1-oneFormula:
C30H37O9NSmiles:
CNCC(CC(O)C1OC(Oc2cc(OC)cc3cc(C)c(C(C)=O)c(O)c23)C(O)C(O)C1O)c1ccccc1Aglycone:
CNCC(CCO)c1ccccc1.COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 10 |
| MolWt: | 555.62 | Num_heavy_atoms: | 40 |
| TPSA: | 157.94 | NumAromaticRings: | 3 |
Unique Aglycone
AD15787
Formula: C14H14O4
Smiles:
COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 2 |
| MolWt: | 246.26 | Num_heavy_atoms: | 18 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
AD45919
Formula: C11H17ON
Smiles:
CNCC(CCO)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 179.26 | Num_heavy_atoms: | 13 |
| TPSA: | 32.26 | NumAromaticRings: | 1 |
