Glycoside
...
GD123691

Name:
6-{[4,4,6a,6b,11,11,14b-heptamethyl-9-({[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}carbonyl)-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-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

Formula:
C49H78O18

Smiles:
CC1(C)CC(C(=O)OC2CC(CO)C(O)C(O)C2O)C2CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1

Aglycone:
CC1(C)CC(C(=O)OC2CC(CO)C(O)C(O)C2O)C2CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 11 FractionCSP3: 0.92
AlogP: 0.75 Num_rotatable_bonds: 9
MolWt: 955.15 Num_heavy_atoms: 67
TPSA: 302.82 NumAromaticRings: 0

Unique Aglycone
AD49941
Formula: C37H60O7

Smiles:
CC1(C)CC(C(=O)OC2CC(CO)C(O)C(O)C2O)C2CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 7 RingCount: 6
HBD: 5 FractionCSP3: 0.92
AlogP: 5.01 Num_rotatable_bonds: 3
MolWt: 616.88 Num_heavy_atoms: 44
TPSA: 127.45 NumAromaticRings: 0

Sugarmoiety
SD00540

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O