Glycoside
...
GD126792

Name:
6-{[10-(benzoyloxy)-8,9-dihydroxy-4,8a-bis(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 acid

Formula:
C43H62O13

Smiles:
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(CO)C(O)C1OC(=O)c1ccccc1

Aglycone:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1OC(=O)c1ccccc1

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O

Other 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
AD51317
Formula: C37H54O7

Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1OC(=O)c1ccccc1
HBA: 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

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O