Glycoside

GD036105
Name:
NoneFormula:
C50H83O15NSmiles:
C[C@@H]1O[C@H](O[C@H]2[C@H](CO)O[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)N(C)C)CC[C@]45C)C3(C)C)[C@@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CN(C)C(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 16 | RingCount: | 8 |
HBD: | 8 | FractionCSP3: | 0.94 |
AlogP: | 2.77 | Num_rotatable_bonds: | 8 |
MolWt: | 938.21 | Num_heavy_atoms: | 66 |
TPSA: | 237.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD22803
Formula: C32H53O2N
Smiles:
CN(C)C(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2HBA: | 3 | RingCount: | 5 |
HBD: | 1 | FractionCSP3: | 0.91 |
AlogP: | 7.24 | Num_rotatable_bonds: | 1 |
MolWt: | 483.78 | Num_heavy_atoms: | 35 |
TPSA: | 40.54 | NumAromaticRings: | 0 |