Glycoside

GD030725
Name:
ELAEODENDROSIDE VFormula:
C35H54O16Smiles:
C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(CO)[C@H]4[C@H](CC[C@@]3(O)C2)[C@]2(O)CC[C@@H](C3=CC(=O)OC3)[C@@]2(C)C[C@H]4O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12CC(O)C3C(CCC4(O)CC(O)CCC34CO)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 16 | RingCount: | 7 |
HBD: | 10 | FractionCSP3: | 0.91 |
AlogP: | -2.66 | Num_rotatable_bonds: | 7 |
MolWt: | 730.8 | Num_heavy_atoms: | 51 |
TPSA: | 265.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD19871
Formula: C23H34O7
Smiles:
CC12CC(O)C3C(CCC4(O)CC(O)CCC34CO)C1(O)CCC2C1=CC(=O)OC1HBA: | 7 | RingCount: | 5 |
HBD: | 5 | FractionCSP3: | 0.87 |
AlogP: | 0.66 | Num_rotatable_bonds: | 2 |
MolWt: | 422.52 | Num_heavy_atoms: | 30 |
TPSA: | 127.45 | NumAromaticRings: | 0 |