Glycoside
GD125900
Name:
6-{[3-hydroxy-2-({4-hydroxy-5-methoxy-6-[7-methoxy-7'-(1-methoxyethyl)-octahydro-2'H,3aH-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-7'-oloxy]-2-(methoxymethyl)oxan-3-yl}oxy)-5-methoxy-6-methyloxan-4-yl]oxy}-2,4-dimethyloxane-3,4-diolFormula:
C37H62O22Smiles:
COCC1OC(OC2OCC3OC4(OCC(O)(C(C)OC)C5OCOC54)OC3C2OC)C(OC)C(O)C1OC1OC(C)C(OC)C(OC2CC(C)(O)C(O)C(C)O2)C1OAglycone:
COC1C(O)OCC2OC3(OCC(O)(C(C)OC)C4OCOC43)OC21Sugarmoiety:
COCC1OC(O)C(OC)C(O)C1OC1OC(C)C(OC)C(OC2CC(C)(O)C(O)C(C)O2)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -2.77 | Num_rotatable_bonds: | 13 |
| MolWt: | 858.88 | Num_heavy_atoms: | 59 |
| TPSA: | 258.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD03352
Formula: C15H24O10
Smiles:
COC1C(O)OCC2OC3(OCC(O)(C(C)OC)C4OCOC43)OC21| HBA: | 10 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 364.35 | Num_heavy_atoms: | 25 |
| TPSA: | 114.3 | NumAromaticRings: | 0 |
