Glycoside
GD029864
Name:
4a,6a,6b,11,11,14b-hexamethyl-2-(1,2,3,4-tetrahydroxybutyl)-2H,4H,4aH,4bH,5H,6H,6aH,6bH,7H,8H,8aH,9H,10H,11H,12H,12aH,14H,14aH,14bH,15H,16H,16aH-piceno[3,4-d][1,3]dioxine-8a-carboxylic acidFormula:
C35H56O8Smiles:
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@@H]6O[C@H]([C@H](O)[C@H](O)[C@H](O)CO)OC[C@@]6(C)[C@H]5CC[C@]43C)[C@H]2C1Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC6OCOCC6(C)C5CCC43C)C2C1Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 4.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 604.83 | Num_heavy_atoms: | 43 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD18491
Formula: C31H48O4
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC6OCOCC6(C)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 7.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 484.72 | Num_heavy_atoms: | 35 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
