Glycoside
GD031275
Name:
NoneFormula:
C26H40O12Smiles:
CC1=C(C(C)C)C[C@]2(O)[C@@]1(O)[C@@H]1OC(=O)C[C@@]2(CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@]2(O)CC[C@H](C)[C@]12OAglycone:
CC1=C(C(C)C)CC2(O)C1(O)C1OC(=O)CC2(CO)C2(O)CCC(C)C12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | -2.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 544.59 | Num_heavy_atoms: | 38 |
| TPSA: | 206.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD20165
Formula: C20H30O7
Smiles:
CC1=C(C(C)C)CC2(O)C1(O)C1OC(=O)CC2(CO)C2(O)CCC(C)C12O| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.85 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 382.45 | Num_heavy_atoms: | 27 |
| TPSA: | 127.45 | NumAromaticRings: | 0 |
