Glycoside
GD141996
Name:
5,8,10-trihydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carbaldehydeFormula:
C36H58O10Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5C(O)CC4(C)C3(C)CC(O)C2(C)CC1OAglycone:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C=O)C5C(O)CC4(C)C3(C)CC(O)C2(C)CC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 4 |
| MolWt: | 650.85 | Num_heavy_atoms: | 46 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD57163
Formula: C30H48O5
Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C=O)C5C(O)CC4(C)C3(C)CC(O)C2(C)CC1O| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 4.26 | Num_rotatable_bonds: | 1 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
