Glycoside
GD003065
Name:
NoneFormula:
C40H71O7NSSmiles:
CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4CC(OCCCCN(O)CCCSC5OC(CO)C(O)C(O)C5O)CC[C@@]4(C)[C@H]3CC[C@@]12CAglycone:
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OCCCCN(O)CCCS)CCC4(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | 6.81 | Num_rotatable_bonds: | 17 |
| MolWt: | 710.08 | Num_heavy_atoms: | 49 |
| TPSA: | 122.85 | NumAromaticRings: | 0 |
Unique Aglycone
AD02826
Formula: C34H61O2NS
Smiles:
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OCCCCN(O)CCCS)CCC4(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 9.2 | Num_rotatable_bonds: | 14 |
| MolWt: | 547.93 | Num_heavy_atoms: | 38 |
| TPSA: | 32.7 | NumAromaticRings: | 0 |
