Glycoside
GD140892
Name:
"(18S)-18-O- B-D-Glucopyranosyl-(1-6)- B-D-Glucopyranosideof Protoconstipatic Acid"Formula:
C33H56O15Smiles:
C=C1C(=O)OC(CCCCCCCCCCCCCC(C)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C1C(=O)OAglycone:
C=C1C(=O)OC(CCCCCCCCCCCCCC(C)O)C1C(=O)OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 21 |
| MolWt: | 692.8 | Num_heavy_atoms: | 48 |
| TPSA: | 242.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD45041
Formula: C21H36O5
Smiles:
C=C1C(=O)OC(CCCCCCCCCCCCCC(C)O)C1C(=O)O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 15 |
| MolWt: | 368.51 | Num_heavy_atoms: | 26 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
