Glycoside

GD121113
Name:
6-({8a-[(benzoyloxy)methyl]-8,9,10-trihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C43H62O13Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(COC(=O)c2ccccc2)C(O)C1OAglycone:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(COC(=O)c2ccccc2)C(O)C1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 7 |
HBD: | 8 | FractionCSP3: | 0.77 |
AlogP: | 2.81 | Num_rotatable_bonds: | 7 |
MolWt: | 786.96 | Num_heavy_atoms: | 56 |
TPSA: | 223.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD48720
Formula: C37H54O7
Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(COC(=O)c2ccccc2)C(O)C1OHBA: | 7 | RingCount: | 6 |
HBD: | 5 | FractionCSP3: | 0.76 |
AlogP: | 4.89 | Num_rotatable_bonds: | 4 |
MolWt: | 610.83 | Num_heavy_atoms: | 44 |
TPSA: | 127.45 | NumAromaticRings: | 1 |