Glycoside
GD031300
Name:
NoneFormula:
C43H68O13NSmiles:
C[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4CC=C4[C@@H]6CC(C)(C)CC[C@@]6(C(=O)NCC(=O)[O-])CC[C@]45C)[C@@]3(C)CO)OC[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(C)CCC2(C(=O)NCC(=O)[O-])CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 8 |
| MolWt: | 807.01 | Num_heavy_atoms: | 57 |
| TPSA: | 227.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD07749
Formula: C32H50O5N
Smiles:
CC1(C)CCC2(C(=O)NCC(=O)[O-])CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 528.75 | Num_heavy_atoms: | 38 |
| TPSA: | 109.69 | NumAromaticRings: | 0 |
