Glycoside
GD014514
Name:
ANAGALLIGENONE-3-O-[BETA-D-XYLOPYRANOSYL(1->2)-BETA-D-GLUCOPYRANOSYL(1->4)-ALPHA-L-ARABINOPYRANOSIDE]Formula:
C46H74O17Smiles:
CC1(C)CC[C@@]23CO[C@]4(CC[C@@H]5[C@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@](C)(CO)[C@H]6CC[C@@]5(C)[C@@]4(C)CC2=O)[C@H]3C1Aglycone:
CC1(C)CCC23COC4(CCC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CC2=O)C3C1Sugarmoiety:
OCC1OC(OC2COC(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.98 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 8 |
| MolWt: | 899.08 | Num_heavy_atoms: | 63 |
| TPSA: | 263.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD04054
Formula: C30H48O4
Smiles:
CC1(C)CCC23COC4(CCC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CC2=O)C3C1| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 5.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
