Glycoside
GD133398
Name:
3,4,5-trihydroxy-6-({9-hydroxy-14,15-dimethoxy-12-[(methylamino)methyl]-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:
C25H29O12NSmiles:
CNCc1cc(OC)c(OC)c2c1C1C(O)Oc3cc(OC4OC(C(=O)O)C(O)C(O)C4O)ccc3C1O2Aglycone:
CNCc1cc(OC)c(OC)c2c1C1C(O)Oc3cc(O)ccc3C1O2Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 7 |
| MolWt: | 535.5 | Num_heavy_atoms: | 38 |
| TPSA: | 185.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD53997
Formula: C19H21O6N
Smiles:
CNCc1cc(OC)c(OC)c2c1C1C(O)Oc3cc(O)ccc3C1O2| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 359.38 | Num_heavy_atoms: | 26 |
| TPSA: | 89.41 | NumAromaticRings: | 2 |
