Glycoside
GD153126
Name:
1-{1-hydroxy-6-methoxy-3-methyl-8-[(3,4,5-trihydroxy-6-{1-hydroxy-3-[(2-hydroxypropyl)amino]-3-phenylpropyl}oxan-2-yl)oxy]naphthalen-2-yl}ethan-1-oneFormula:
C31H39O10NSmiles:
COc1cc(OC2OC(C(O)CC(NCC(C)O)c3ccccc3)C(O)C(O)C2O)c2c(O)c(C(C)=O)c(C)cc2c1Aglycone:
CC(O)CNC(CCO)c1ccccc1.COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.45 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 11 |
| MolWt: | 585.65 | Num_heavy_atoms: | 42 |
| TPSA: | 178.17 | 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 |
AD60927
Formula: C12H19O2N
Smiles:
CC(O)CNC(CCO)c1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 209.29 | Num_heavy_atoms: | 15 |
| TPSA: | 52.49 | NumAromaticRings: | 1 |
