Glycoside
GD124952
Name:
3,4,5-trihydroxy-6-({3-hydroxy-4-methoxy-13-oxo-17-azatetracyclo[7.5.3.0¹,¹â°.0²,â·]heptadeca-2,4,6,11-tetraen-12-yl}oxy)oxane-2-carboxylic acidFormula:
C23H27O10NSmiles:
COc1ccc2c(c1O)C13CCNC(C2)C1C=C(OC1OC(C(=O)O)C(O)C(O)C1O)C(=O)C3Aglycone:
COc1ccc2c(c1O)C13CCNC(C2)C1C=C(O)C(=O)C3Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 477.47 | Num_heavy_atoms: | 34 |
| TPSA: | 175.01 | NumAromaticRings: | 1 |
Unique Aglycone
AD50522
Formula: C17H19O4N
Smiles:
COc1ccc2c(c1O)C13CCNC(C2)C1C=C(O)C(=O)C3| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 301.34 | Num_heavy_atoms: | 22 |
| TPSA: | 78.79 | NumAromaticRings: | 1 |
