Glycoside

GD147395
Name:
9-(1,2-dihydroxyethyl)-6-ethyl-11-hydroxy-2-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-[(3,4,5-trihydroxyoxan-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-carboxylic acidFormula:
C38H62O11Smiles:
CCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC3C4(C)CC(O)C(OC5OCC(O)C(O)C5O)C(C)(C(O)CO)C4CCC3(C)C21CAglycone:
CCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC3C4(C)CC(O)C(O)C(C)(C(O)CO)C4CCC3(C)C21CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 6 |
HBD: | 8 | FractionCSP3: | 0.92 |
AlogP: | 2.61 | Num_rotatable_bonds: | 7 |
MolWt: | 694.9 | Num_heavy_atoms: | 49 |
TPSA: | 197.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD59030
Formula: C33H54O7
Smiles:
CCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC3C4(C)CC(O)C(O)C(C)(C(O)CO)C4CCC3(C)C21CHBA: | 7 | RingCount: | 5 |
HBD: | 6 | FractionCSP3: | 0.91 |
AlogP: | 4.15 | Num_rotatable_bonds: | 5 |
MolWt: | 562.79 | Num_heavy_atoms: | 40 |
TPSA: | 138.45 | NumAromaticRings: | 0 |