Glycoside
GD125301
Name:
3-(2-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}propan-2-yl)-5-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-9-[(3,4,5-trihydroxyoxan-2-yl)oxy]-icosahydro-1H-cyclopenta[a]chrysen-7-oneFormula:
C47H78O17Smiles:
CC1OC(OC2C(CO)OC(OC(C)(C)C3CCC4(C)C3CC(O)C3(C)C4CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5C(=O)CC43C)C(O)C2O)C(O)C(O)C1OAglycone:
CC(C)(O)C1CCC2(C)C1CC(O)C1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3C(=O)CC21CSugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.98 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 8 |
| MolWt: | 915.12 | Num_heavy_atoms: | 64 |
| TPSA: | 274.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD45499
Formula: C30H50O4
Smiles:
CC(C)(O)C1CCC2(C)C1CC(O)C1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3C(=O)CC21C| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 5.37 | Num_rotatable_bonds: | 1 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
