Glycoside
GD113003
Name:
NoneFormula:
C38H61O8NSmiles:
CC(=O)N[C@H]1[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3CC=C3[C@H]5CC(C)(C)C[C@@H](C(=O)O)[C@H]5CC[C@]34C)C2(C)C)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
CC1(C)CC(C(=O)O)C2CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 5.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 659.91 | Num_heavy_atoms: | 47 |
| TPSA: | 145.55 | NumAromaticRings: | 0 |
Unique Aglycone
AD44800
Formula: C30H48O3
Smiles:
CC1(C)CC(C(=O)O)C2CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 7.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
