Glycoside
GD139768
Name:
2-[(4,5-dihydroxy-2-{[3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-4,7-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]-icosahydro-1H-cyclopenta[a]chrysen-9-yl]oxy}oxan-3-yl)oxy]-6-methyloxane-3,4,5-triolFormula:
C51H86O20Smiles:
CC1OC(OC2C(OC3CCC4(C)C(C(OC5OCC(O)C(O)C5O)CC5(C)C4CCC4C6(C)CCC(C(C)(C)O)C6C(OC6OCC(O)C(O)C6O)CC45C)C3(C)C)OCC(O)C2O)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(OC2C(O)OCC(O)C2O)C(O)C(O)C1O.OC1COC(O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 9 |
| HBD: | 12 | FractionCSP3: | 1.0 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 9 |
| MolWt: | 1019.23 | Num_heavy_atoms: | 71 |
| TPSA: | 316.6 | 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 |
