Glycoside
GD017511
Name:
(16Alpha,20R,24S)-2,16,20,25-Tetrahydroxy-24-Methoxycucurbita-1,5-Diene-3,11,22-Trione 2-O-Beta-D-GlucopyranosideFormula:
C37H56O13Smiles:
CO[C@H](CC(=O)[C@@](C)(O)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3CC=C4[C@H](C=C(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@@]3(C)C(=O)C[C@]12C)C(C)(C)OAglycone:
COC(CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C)C(C)(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.81 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 9 |
| MolWt: | 708.84 | Num_heavy_atoms: | 50 |
| TPSA: | 220.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD12487
Formula: C31H46O8
Smiles:
COC(CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C)C(C)(C)O| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 546.7 | Num_heavy_atoms: | 39 |
| TPSA: | 141.36 | NumAromaticRings: | 0 |
