Glycoside
GD107666
Name:
NoneFormula:
C33H48O13NSmiles:
C[C@@H]1O[C@H](O[C@@H]2/C=C/C=C/C=C\C=C\C[C@@H](C)OC(=O)/C=C/[C@@H]3O[C@H]3C[C@@H](O)C[C@@]3(O)C[C@@H](O)[C@H](C(=O)O)[C@@H](C2)O3)[C@H](O)[C@@H]([NH3+])[C@@H]1OAglycone:
CC1CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC3OC3C=CC(=O)O1)CC(O)C2C(=O)OSugarmoiety:
CC1OC(O)C(O)C([NH3+])C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.64 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 666.74 | Num_heavy_atoms: | 47 |
| TPSA: | 232.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD04554
Formula: C27H36O10
Smiles:
CC1CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC3OC3C=CC(=O)O1)CC(O)C2C(=O)O| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 520.58 | Num_heavy_atoms: | 37 |
| TPSA: | 166.28 | NumAromaticRings: | 0 |
