Glycoside

GD020059
Name:
NoneFormula:
C47H73O16NSmiles:
C[C@@H]1[C@H](O)[C@H](CO)O[C@H](O[C@@H]2[C@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4C(=O)C=C4[C@@H]6C[C@](C)(CN[C@H](CC(=O)O)C(=O)O)CC[C@@]6(C)CC[C@]45C)C3(C)C)O[C@H](C(=O)O)[C@H](O)[C@H]2O)[C@H]1OAglycone:
CC1(CNC(CC(=O)O)C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC1C(O)C(CO)OC(OC2C(O)OC(C(=O)O)C(O)C2O)C1OOther Identifiers
Properties
HBA: | 17 | RingCount: | 7 |
HBD: | 9 | FractionCSP3: | 0.87 |
AlogP: | 2.86 | Num_rotatable_bonds: | 12 |
MolWt: | 908.09 | Num_heavy_atoms: | 64 |
TPSA: | 279.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD13906
Formula: C34H53O6N
Smiles:
CC1(CNC(CC(=O)O)C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1HBA: | 7 | RingCount: | 5 |
HBD: | 4 | FractionCSP3: | 0.85 |
AlogP: | 5.85 | Num_rotatable_bonds: | 6 |
MolWt: | 571.8 | Num_heavy_atoms: | 41 |
TPSA: | 123.93 | NumAromaticRings: | 0 |