Glycoside
GD144787
Name:
CaloporosideFormula:
C36H60O15Smiles:
CC(CCCCCCCCCCCCCCCc1cccc(O)c1C(=O)O)OC(=O)C(O)C(O)C(O)C(CO)OC1OC(CO)C(O)C(O)C1OAglycone:
CCCCCCCCCCCCCCCCCc1cccc(O)c1C(=O)OSugarmoiety:
O=C(OO)C(O)C(O)C(O)C(CO)OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.78 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 26 |
| MolWt: | 732.86 | Num_heavy_atoms: | 51 |
| TPSA: | 264.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD15612
Formula: C24H40O3
Smiles:
CCCCCCCCCCCCCCCCCc1cccc(O)c1C(=O)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 7.5 | Num_rotatable_bonds: | 17 |
| MolWt: | 376.58 | Num_heavy_atoms: | 27 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
