Glycoside
GD116382
Name:
3,4,5-trihydroxy-6-[(15-methoxy-14-{[(3-methylbutyl)amino]methoxy}-3-phenyl-8,17-dioxatetracyclo[8.7.0.0²,â·.0¹¹,¹â¶]heptadeca-2(7),3,5,11(16),12,14-hexaen-5-yl)oxy]oxane-2-carboxylic acidFormula:
C34H39O11NSmiles:
COc1c(OCNCCC(C)C)ccc2c1OC1c3c(cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3-c3ccccc3)OCC21Aglycone:
COc1c(OCNCCC(C)C)ccc2c1OC1c3c(cc(O)cc3-c3ccccc3)OCC21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 11 |
| MolWt: | 637.68 | Num_heavy_atoms: | 46 |
| TPSA: | 165.4 | NumAromaticRings: | 3 |
Unique Aglycone
AD46205
Formula: C28H31O5N
Smiles:
COc1c(OCNCCC(C)C)ccc2c1OC1c3c(cc(O)cc3-c3ccccc3)OCC21| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 5.65 | Num_rotatable_bonds: | 8 |
| MolWt: | 461.56 | Num_heavy_atoms: | 34 |
| TPSA: | 69.18 | NumAromaticRings: | 3 |
