Glycoside
GD139449
Name:
9-[(5-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-1,5a,5b,8,8,11a-hexamethyl-2H,3H,3aH,4H,5H,5aH,5bH,6H,7H,7aH,8H,9H,10H,11H,11aH,11bH,12H-cyclopenta[a]chrysen-2-oneFormula:
C44H68O15Smiles:
CC1=C2C3=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC2CC1=OAglycone:
CC1=C2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2CC1=OSugarmoiety:
CC1OC(OC2C(O)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.89 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 7 |
| MolWt: | 837.01 | Num_heavy_atoms: | 59 |
| TPSA: | 234.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD56233
Formula: C27H40O2
Smiles:
CC1=C2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2CC1=O| HBA: | 2 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.81 |
| AlogP: | 6.24 | Num_rotatable_bonds: | 0 |
| MolWt: | 396.62 | Num_heavy_atoms: | 29 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
