Glycoside
GD001391
Name:
NoneFormula:
C37H58O12Smiles:
C[C@@H](CCC(=O)[C@@H](C)[C@@H]1C(=O)C[C@@H]2[C@@H]3CC=C4C[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@H]3CC[C@@]12C)CO[C@@H]1OC[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(CO)CCC(=O)C(C)C1C(=O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21CSugarmoiety:
OC1COC(O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 10 |
| MolWt: | 694.86 | Num_heavy_atoms: | 49 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD01405
Formula: C27H42O4
Smiles:
CC(CO)CCC(=O)C(C)C1C(=O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 4.72 | Num_rotatable_bonds: | 6 |
| MolWt: | 430.63 | Num_heavy_atoms: | 31 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
