Glycoside
GD115564
Name:
2-[(4,5-dihydroxy-2-{[7-hydroxy-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-icosahydro-1H-cyclopenta[a]chrysen-9-yl]oxy}oxan-3-yl)oxy]-6-methyloxane-3,4,5-triolFormula:
C47H80O16Smiles:
CC1OC(OC2CC3(C)C(CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5C(O)CC43C)C3(C)CCC(C(C)(C)O)C23)C(O)C(O)C1OAglycone:
CC(C)(O)C1CCC2(C)C1C(O)CC1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3C(O)CC21CSugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 901.14 | Num_heavy_atoms: | 63 |
| TPSA: | 257.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD45741
Formula: C30H52O4
Smiles:
CC(C)(O)C1CCC2(C)C1C(O)CC1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3C(O)CC21C| HBA: | 4 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 5.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 476.74 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
