Glycoside
GD009985
Name:
NoneFormula:
C36H59O8NSmiles:
CC1(C)[C@H](O)CC[C@@]2(C)[C@@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)NC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)CC[C@@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12Aglycone:
CNC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 7 |
| MolWt: | 633.87 | Num_heavy_atoms: | 45 |
| TPSA: | 167.55 | NumAromaticRings: | 0 |
Unique Aglycone
AD07769
Formula: C31H49O3N
Smiles:
CNC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 6.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 483.74 | Num_heavy_atoms: | 35 |
| TPSA: | 66.4 | NumAromaticRings: | 0 |
