Glycoside
GD115578
Name:
methyl 4-[(2-acetyl-7,8-dihydroxy-1,2-dihydroisoquinolin-1-yl)methyl]-3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C27H33O12NSmiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1c2c(ccc(O)c2O)C=CN1C(C)=OAglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC1c2c(ccc(O)c2O)C=CN1C(C)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 563.56 | Num_heavy_atoms: | 40 |
| TPSA: | 195.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD45749
Formula: C21H23O7N
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC1c2c(ccc(O)c2O)C=CN1C(C)=O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 401.42 | Num_heavy_atoms: | 29 |
| TPSA: | 116.53 | NumAromaticRings: | 1 |
