Glycoside
GD033451
Name:
NoneFormula:
C85H151O38N3Smiles:
CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)CNC(=O)CCCCC(=O)NCC(=O)NCOCOCCOCCOCCOCCO[C@@H]5O[C@H](COCOCOCCOCCOCCOCCO[C@@H]6O[C@H](COCOCOCCOCCOCCOCCO[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@H]3CC[C@@]12CAglycone:
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC(=O)CNC(=O)CCCCC(=O)NCC(=O)NCOCOCCOCCOCCOCCO)CCC4(C)C3CCC12C.COCOCOCCOCCOCCOCCO.COCOCOCCOCCOCCOCCOSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 41 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.93 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 71 |
| MolWt: | 1823.13 | Num_heavy_atoms: | 126 |
| TPSA: | 528.19 | NumAromaticRings: | 0 |
Unique Aglycone
AD21349
Formula: C47H81O11N3
Smiles:
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC(=O)CNC(=O)CCCCC(=O)NCC(=O)NCOCOCCOCCOCCOCCO)CCC4(C)C3CCC12C| HBA: | 14 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 5.84 | Num_rotatable_bonds: | 30 |
| MolWt: | 864.17 | Num_heavy_atoms: | 61 |
| TPSA: | 179.98 | NumAromaticRings: | 0 |
AD21350
Formula: C11H24O7
Smiles:
COCOCOCCOCCOCCOCCO| HBA: | 7 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 15 |
| MolWt: | 268.31 | Num_heavy_atoms: | 18 |
| TPSA: | 75.61 | NumAromaticRings: | 0 |
