Glycoside
GD024093
Name:
NoneFormula:
C53H81O17NSmiles:
CCOC(=O)CO[C@@H]1[C@H](C)O[C@H](OC2[C@H](C)O[C@H](OC3C(C)=CC[C@@H]4C[C@H](C[C@]5(CC(=NOC)[C@H](C)[C@H](C(C)CC)O5)O4)OC(=O)C4C=C(C)[C@H](O)[C@@H]5OCC(=CC=C[C@H]3C)C45O)C[C@H]2OC)C[C@H]1OCAglycone:
CCC(C)C1OC2(CC(=NOC)C1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2.CCOC(=O)COSugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 5.8 | Num_rotatable_bonds: | 13 |
| MolWt: | 1004.22 | Num_heavy_atoms: | 71 |
| TPSA: | 206.95 | NumAromaticRings: | 0 |
Unique Aglycone
AD07875
Formula: C4H8O3
Smiles:
CCOC(=O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 2 |
| MolWt: | 104.1 | Num_heavy_atoms: | 7 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
AD16125
Formula: C35H51O9N
Smiles:
CCC(C)C1OC2(CC(=NOC)C1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 4.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 629.79 | Num_heavy_atoms: | 45 |
| TPSA: | 136.27 | NumAromaticRings: | 0 |
