Glycoside
GD156311
Name:
3,4,5-trihydroxy-6-({10-methoxy-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0âµ,¹â·.0â·,¹â¸]octadeca-7,9,11(18),15-tetraen-14-yl}oxy)oxane-2-carboxylic acidFormula:
C23H27O9NSmiles:
COc1ccc2c3c1OC1C(OC4OC(C(=O)O)C(O)C(O)C4O)C=CC4C(C2)NCCC341Aglycone:
COc1ccc2c3c1OC1C(O)C=CC4C(C2)NCCC341Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 461.47 | Num_heavy_atoms: | 33 |
| TPSA: | 146.94 | NumAromaticRings: | 1 |
Unique Aglycone
AD61911
Formula: C17H19O3N
Smiles:
COc1ccc2c3c1OC1C(O)C=CC4C(C2)NCCC341| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 285.34 | Num_heavy_atoms: | 21 |
| TPSA: | 50.72 | NumAromaticRings: | 1 |
