Glycoside
GD155110
Name:
3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl 2,2,6a,6b,9,9,12a-heptamethyl-10-{[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateFormula:
C50H84O13Smiles:
COCC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(COC)C(OC)C(OC)C6OC)C(C)(C)C5CCC4(C)C2(C)CC3)C(OC)C(OC)C1OCAglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
COCC1OC(O)C(OC)C(OC)C1OC.COCC1OC(O)C(OC)C(OC)C1OCOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 0 | FractionCSP3: | 0.94 |
| AlogP: | 7.55 | Num_rotatable_bonds: | 14 |
| MolWt: | 893.21 | Num_heavy_atoms: | 63 |
| TPSA: | 127.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD00086
Formula: C30H48O3
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 7.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
