Glycoside
GD024610
Name:
9a-methyl-3-octanoyl-6-(prop-1-en-1-yl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2H,7H,9H,9aH-furo[3,2-g]isoquinoline-2,9-dioneFormula:
C29H37O9NSmiles:
CC=CC1=CC2=CC3=C(C(=O)CCCCCCC)C(=O)O[C@@]3(C)C(=O)C2=CN1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC=CC1=CC2=CC3=C(C(=O)CCCCCCC)C(=O)OC3(C)C(=O)C2=CN1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 10 |
| MolWt: | 543.61 | Num_heavy_atoms: | 39 |
| TPSA: | 153.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD16402
Formula: C23H27O4N
Smiles:
CC=CC1=CC2=CC3=C(C(=O)CCCCCCC)C(=O)OC3(C)C(=O)C2=CN1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 3.98 | Num_rotatable_bonds: | 8 |
| MolWt: | 381.47 | Num_heavy_atoms: | 28 |
| TPSA: | 72.47 | NumAromaticRings: | 0 |
