Glycoside
GD032389
Name:
NoneFormula:
C27H38O7Smiles:
C[C@@H]1OC(=O)[C@@]23CC[C@@H]4[C@H](CC[C@@H]5C[C@H](O[C@@H]6C[C@H](O)[C@@H](O)[C@H](C)O6)CC[C@]54C)C2=CC(=O)[C@H]13Aglycone:
CC1OC(=O)C23CCC4C(CCC5CC(O)CCC54C)C2=CC(=O)C13Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 2 |
| MolWt: | 474.59 | Num_heavy_atoms: | 34 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD08527
Formula: C21H28O4
Smiles:
CC1OC(=O)C23CCC4C(CCC5CC(O)CCC54C)C2=CC(=O)C13| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.81 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 344.45 | Num_heavy_atoms: | 25 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
