Glycoside
GD135556
Name:
3,4,5-trihydroxy-6-[(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:
C26H31O12NSmiles:
COc1c(OCNCC(C)O)ccc2c1OC1c3ccc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3OCC21Aglycone:
COc1c(OCNCC(C)O)ccc2c1OC1c3ccc(O)cc3OCC21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 9 |
| MolWt: | 549.53 | Num_heavy_atoms: | 39 |
| TPSA: | 185.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD54809
Formula: C20H23O6N
Smiles:
COc1c(OCNCC(C)O)ccc2c1OC1c3ccc(O)cc3OCC21| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 6 |
| MolWt: | 373.41 | Num_heavy_atoms: | 27 |
| TPSA: | 89.41 | NumAromaticRings: | 2 |
