Glycoside
GD016534
Name:
NoneFormula:
C38H60O12Smiles:
C[C@@H]1O[C@H](OC[C@H](C)CCC(=O)[C@H](C)[C@@H]2C(=O)C[C@@H]3[C@@H]4CC=C5C[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@H]4CC[C@@]23C)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(CO)CCC(=O)C(C)C1C(=O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21CSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 10 |
| MolWt: | 708.89 | Num_heavy_atoms: | 50 |
| 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 |
