Glycoside
...
GD153942

Name:
6-{[8a-({[5-(acetyloxy)-4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3-[(3,5-dihydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl]oxy}carbonyl)-4-carboxy-2-hydroxy-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:
C61H94O30

Smiles:
CC(=O)OC1C(C)OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C(=O)O)C5CCC4(C)C2(C)CC3)C(OC2OC(C)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1OC1OCC(O)(CO)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1

Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC2OC(C)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1OC1OCC(O)(CO)C1O.O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 30 RingCount: 10
HBD: 15 FractionCSP3: 0.9
AlogP: -2.82 Num_rotatable_bonds: 15
MolWt: 1307.39 Num_heavy_atoms: 91
TPSA: 473.26 NumAromaticRings: 0

Unique Aglycone
AD00250
Formula: C30H46O6

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1
HBA: 6 RingCount: 5
HBD: 4 FractionCSP3: 0.87
AlogP: 5.27 Num_rotatable_bonds: 2
MolWt: 502.69 Num_heavy_atoms: 36
TPSA: 115.06 NumAromaticRings: 0

Sugarmoiety
SD09865

CC(=O)OC1C(C)OC(O)C(OC2OC(C)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1OC1OCC(O)(CO)C1O.O=C(O)C1OC(O)C(O)C(O)C1O