Glycoside
GD154054
Name:
3,4,5-trihydroxy-6-[(9-hydroxy-14-{[(2-hydroxypropyl)amino]methoxy}-15-methoxy-8,17-dioxatetracyclo[8.7.0.0²,â·.0¹¹,¹â¶]heptadeca-2,4,6,11(16),12,14-hexaen-5-yl)oxy]oxane-2-carboxylic acidFormula:
C26H31O13NSmiles:
COc1c(OCNCC(C)O)ccc2c1OC1c3ccc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3OC(O)C21Aglycone:
COc1c(OCNCC(C)O)ccc2c1OC1c3ccc(O)cc3OC(O)C21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 9 |
| MolWt: | 565.53 | Num_heavy_atoms: | 40 |
| TPSA: | 205.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD61223
Formula: C20H23O7N
Smiles:
COc1c(OCNCC(C)O)ccc2c1OC1c3ccc(O)cc3OC(O)C21| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 389.4 | Num_heavy_atoms: | 28 |
| TPSA: | 109.64 | NumAromaticRings: | 2 |
