Glycoside
GD119363
Name:
2-[(2-{[2-({4,13-dihydroxy-5a,5b,8,8,11a,13b-hexamethyl-3-methylidene-icosahydro-1H-cyclopenta[a]chrysen-9-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-3,5-dihydroxyoxan-4-yl)oxy]-6-methyloxane-3,4,5-triolFormula:
C45H74O16Smiles:
C=C1CCC2(C)C1C(O)CC1(C)C2C(O)CC2C3(C)CCC(OC4OC(CO)C(O)C(OC5OCC(O)C(OC6OC(C)C(O)C(O)C6O)C5O)C4O)C(C)(C)C3CCC21CAglycone:
C=C1CCC2(C)C1C(O)CC1(C)C2C(O)CC2C3(C)CCC(O)C(C)(C)C3CCC21CSugarmoiety:
CC1OC(OC2C(O)COC(OC3C(O)C(O)OC(CO)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.96 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 7 |
| MolWt: | 871.07 | Num_heavy_atoms: | 61 |
| TPSA: | 257.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD47806
Formula: C28H46O3
Smiles:
C=C1CCC2(C)C1C(O)CC1(C)C2C(O)CC2C3(C)CCC(O)C(C)(C)C3CCC21C| HBA: | 3 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 5.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 430.67 | Num_heavy_atoms: | 31 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
