Glycoside
GD124562
Name:
2-(ethylamino)-5-methoxy-4-({3,4,5-trihydroxy-6-[(4-hydroxy-3,5-dimethoxybenzoyloxy)methyl]oxan-2-yl}oxy)benzoic acidFormula:
C25H31O13NSmiles:
CCNc1cc(OC2OC(COC(=O)c3cc(OC)c(O)c(OC)c3)C(O)C(O)C2O)c(OC)cc1C(=O)OAglycone:
CCNc1cc(O)c(OC)cc1C(=O)O.COC(=O)c1cc(OC)c(O)c(OC)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 11 |
| MolWt: | 553.52 | Num_heavy_atoms: | 39 |
| TPSA: | 202.7 | NumAromaticRings: | 2 |
Unique Aglycone
AD00094
Formula: C10H12O5
Smiles:
COC(=O)c1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
AD50330
Formula: C10H13O4N
Smiles:
CCNc1cc(O)c(OC)cc1C(=O)O| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 211.22 | Num_heavy_atoms: | 15 |
| TPSA: | 78.79 | NumAromaticRings: | 1 |
