Glycoside
...
GD138104

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

Formula:
C60H94O27

Smiles:
CC=C(C)C(=O)C1C(OC(C)=O)C(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C21CO

Aglycone:
CC=C(C)C(=O)C1C(OC(C)=O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C21CO

Sugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 9
HBD: 15 FractionCSP3: 0.88
AlogP: -2.59 Num_rotatable_bonds: 15
MolWt: 1247.39 Num_heavy_atoms: 87
TPSA: 437.73 NumAromaticRings: 0

Unique Aglycone
AD55764
Formula: C37H58O7

Smiles:
CC=C(C)C(=O)C1C(OC(C)=O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C21CO
HBA: 7 RingCount: 5
HBD: 4 FractionCSP3: 0.84
AlogP: 5.39 Num_rotatable_bonds: 4
MolWt: 614.86 Num_heavy_atoms: 44
TPSA: 124.29 NumAromaticRings: 0

Sugarmoiety
SD01354

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C1O