Glycoside
GD145401
Name:
6-({14,15-dimethoxy-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)-3,4,5-trihydroxy-2-[(methylamino)methyl]oxane-2-carboxylic acidFormula:
C31H33O11NSmiles:
CNCC1(C(=O)O)OC(Oc2cc3c(c(-c4ccccc4)c2)C2Oc4c(ccc(OC)c4OC)C2CO3)C(O)C(O)C1OAglycone:
COc1ccc2c(c1OC)OC1c3c(cc(O)cc3-c3ccccc3)OCC21Sugarmoiety:
CNCC1(C(=O)O)OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 8 |
| MolWt: | 595.6 | Num_heavy_atoms: | 43 |
| TPSA: | 165.4 | NumAromaticRings: | 3 |
Unique Aglycone
AD46033
Formula: C23H20O5
Smiles:
COc1ccc2c(c1OC)OC1c3c(cc(O)cc3-c3ccccc3)OCC21| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 4.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 376.41 | Num_heavy_atoms: | 28 |
| TPSA: | 57.15 | NumAromaticRings: | 3 |
