Glycoside
GD128684
Name:
15-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-16-methoxy-10-azatetracyclo[7.7.1.0²,â·.0¹³,¹â·]heptadeca-1(16),2,4,6,13(17),14-hexaene-10-carbaldehydeFormula:
C30H37O13NSmiles:
COc1c(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)cc2c3c1-c1ccccc1CC3N(C=O)CC2Aglycone:
COc1c(O)cc2c3c1-c1ccccc1CC3N(C=O)CC2Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 8 |
| MolWt: | 619.62 | Num_heavy_atoms: | 44 |
| TPSA: | 208.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD52125
Formula: C18H17O3N
Smiles:
COc1c(O)cc2c3c1-c1ccccc1CC3N(C=O)CC2| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.28 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 2 |
| MolWt: | 295.34 | Num_heavy_atoms: | 22 |
| TPSA: | 49.77 | NumAromaticRings: | 2 |
