Glycoside
GD035421
Name:
3,4,5-trihydroxy-6-({14-hydroxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0âµ,¹â·.0â·,¹â¸]octadeca-7,9,11(18),15-tetraen-10-yl}oxy)oxane-2-carboxylic acidFormula:
C23H27O9NSmiles:
CN1CC[C@]23c4c5ccc(O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@H](O)C6O)c4O[C@H]2[C@H](O)C=CC3[C@H]1C5Aglycone:
CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 461.47 | Num_heavy_atoms: | 33 |
| TPSA: | 149.15 | NumAromaticRings: | 1 |
Unique Aglycone
AD01097
Formula: C17H19O3N
Smiles:
CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 285.34 | Num_heavy_atoms: | 21 |
| TPSA: | 52.93 | NumAromaticRings: | 1 |
