Glycoside
GD151051
Name:
"(18 S)-18-O-[B -D-Glucopyranosyl-(1-6)]- B-D-Glucopyranosyl-(1-2)-B -D-Glucopyranosyl-(1-3)- B-D-Glucopyranoside Ofprotoconstipatic Acid"Formula:
C45H76O25Smiles:
C=C1C(=O)OC(CCCCCCCCCCCCCC(C)OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2OC2OC(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(OC3C(O)OC(CO)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 5 |
| HBD: | 14 | FractionCSP3: | 0.91 |
| AlogP: | -4.08 | Num_rotatable_bonds: | 27 |
| MolWt: | 1017.08 | Num_heavy_atoms: | 70 |
| TPSA: | 400.43 | 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 |
