Glycoside
GD158212
Name:
dipasperoside aFormula:
C56H73O29NSmiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COC(OC4OC(CO)C(O)C(O)C4O)C3C2C)C1C=Cc1cncc(C(=O)OC2CC3C(C(=O)OC)=COC(OC4OC(CO)C(O)C(O)C4O)C3C2C)c1Aglycone:
C=CC1C(O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COC(O)C3C2C)C1C=Cc1cncc(C(=O)OC2CC3C(C(=O)OC)=COC(O)C3C2C)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 9 |
| HBD: | 12 | FractionCSP3: | 0.66 |
| AlogP: | -3.99 | Num_rotatable_bonds: | 18 |
| MolWt: | 1224.18 | Num_heavy_atoms: | 86 |
| TPSA: | 443.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD62474
Formula: C38H43O14N
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COC(O)C3C2C)C1C=Cc1cncc(C(=O)OC2CC3C(C(=O)OC)=COC(O)C3C2C)c1| HBA: | 15 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 9 |
| MolWt: | 737.76 | Num_heavy_atoms: | 53 |
| TPSA: | 206.47 | NumAromaticRings: | 1 |
