Glycoside
...
GD120559

Name:
6-{[9-(acetyloxy)-10-(hex-2-enoyloxy)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

Formula:
C62H98O27

Smiles:
CCCC=CC(=O)OC1C(OC(C)=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2CC1(C)C

Aglycone:
CCCC=CC(=O)OC1C(OC(C)=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C

Sugarmoiety:
CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(OC4OC(CO)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 9
HBD: 14 FractionCSP3: 0.89
AlogP: -1.05 Num_rotatable_bonds: 17
MolWt: 1275.44 Num_heavy_atoms: 89
TPSA: 426.73 NumAromaticRings: 0

Unique Aglycone
AD48450
Formula: C38H60O7

Smiles:
CCCC=CC(=O)OC1C(OC(C)=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.84
AlogP: 6.53 Num_rotatable_bonds: 6
MolWt: 628.89 Num_heavy_atoms: 45
TPSA: 113.29 NumAromaticRings: 0

Sugarmoiety
SD05639

CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(OC4OC(CO)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O