Glycoside
GD120343
Name:
2-(hydroxymethyl)-6-({16-methoxy-10-methyl-10-azatetracyclo[7.7.1.0²,â·.0¹³,¹â·]heptadeca-1(16),2,4,6,13(17),14-hexaen-15-yl}oxy)oxane-3,4,5-triolFormula:
C24H29O7NSmiles:
COc1c(OC2OC(CO)C(O)C(O)C2O)cc2c3c1-c1ccccc1CC3N(C)CC2Aglycone:
COc1c(O)cc2c3c1-c1ccccc1CC3N(C)CC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 443.5 | Num_heavy_atoms: | 32 |
| TPSA: | 111.85 | NumAromaticRings: | 2 |
Unique Aglycone
AD48334
Formula: C18H19O2N
Smiles:
COc1c(O)cc2c3c1-c1ccccc1CC3N(C)CC2| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 281.36 | Num_heavy_atoms: | 21 |
| TPSA: | 32.7 | NumAromaticRings: | 2 |
