Glycoside

GD037143
Name:
NoneFormula:
C55H85O16NSmiles:
COc1ccccc1NC(=O)[C@@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@H]4CC[C@@]3(C)[C@@]1(C)CC2Aglycone:
COc1ccccc1NC(=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: | 17 | RingCount: | 9 |
HBD: | 9 | FractionCSP3: | 0.84 |
AlogP: | 4.32 | Num_rotatable_bonds: | 10 |
MolWt: | 1016.28 | Num_heavy_atoms: | 72 |
TPSA: | 255.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD23419
Formula: C37H55O3N
Smiles:
COc1ccccc1NC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2HBA: | 4 | RingCount: | 6 |
HBD: | 2 | FractionCSP3: | 0.76 |
AlogP: | 8.8 | Num_rotatable_bonds: | 3 |
MolWt: | 561.85 | Num_heavy_atoms: | 41 |
TPSA: | 58.56 | NumAromaticRings: | 1 |