Glycoside
GD137661
Name:
2-(5-{6-[(7-acetyl-8-hydroxy-3-methoxy-6-methylnaphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}-2-amino-5-hydroxycyclohex-3-en-1-yl)acetaldehydeFormula:
C27H33O10NSmiles:
COc1cc(OC2OC(C3(O)C=CC(N)C(CC=O)C3)C(O)C(O)C2O)c2c(O)c(C(C)=O)c(C)cc2c1Aglycone:
COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1.NC1C=CC(O)CC1CC=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 7 |
| MolWt: | 531.56 | Num_heavy_atoms: | 38 |
| TPSA: | 189.0 | NumAromaticRings: | 2 |
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 |
AD50217
Formula: C8H13O2N
Smiles:
NC1C=CC(O)CC1CC=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 2 |
| MolWt: | 155.2 | Num_heavy_atoms: | 11 |
| TPSA: | 63.32 | NumAromaticRings: | 0 |
