Glycoside
...
GD151767

Name:
6-{[9-({3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,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-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid

Formula:
C58H94O28

Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(OC2OCC(O)C(OC3OCC(O)C(O)C3O)C2O)C1O

Aglycone:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(O)C1O

Sugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O.OC1COC(OC2C(O)COC(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 28 RingCount: 10
HBD: 17 FractionCSP3: 0.95
AlogP: -4.43 Num_rotatable_bonds: 14
MolWt: 1239.36 Num_heavy_atoms: 86
TPSA: 453.28 NumAromaticRings: 0

Unique Aglycone
AD05299
Formula: C30H50O4

Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(O)C1O
HBA: 4 RingCount: 5
HBD: 4 FractionCSP3: 0.93
AlogP: 5.08 Num_rotatable_bonds: 1
MolWt: 474.73 Num_heavy_atoms: 34
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD09946

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O.OC1COC(OC2C(O)COC(O)C2O)C(O)C1O