Glycoside
GD140098
Name:
3,4,5-trihydroxy-6-({16-hydroxy-4,15-dimethoxy-10-azatetracyclo[7.7.1.0²,â·.0¹³,¹â·]heptadeca-1(16),2,4,6,13(17),14-hexaen-5-yl}oxy)oxane-2-carboxylic acidFormula:
C24H27O10NSmiles:
COc1cc2c(cc1OC1OC(C(=O)O)C(O)C(O)C1O)CC1NCCc3cc(OC)c(O)c-2c31Aglycone:
COc1cc2c(cc1O)CC1NCCc3cc(OC)c(O)c-2c31Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 489.48 | Num_heavy_atoms: | 35 |
| TPSA: | 167.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD56486
Formula: C18H19O4N
Smiles:
COc1cc2c(cc1O)CC1NCCc3cc(OC)c(O)c-2c31| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 313.35 | Num_heavy_atoms: | 23 |
| TPSA: | 70.95 | NumAromaticRings: | 2 |
