Glycoside
...
GD138922

Name:
6-({9-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-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-2-yl}oxy)-5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid

Formula:
C59H96O27

Smiles:
CC1OC(OC2C(OC3C(OC4CC(C)(CO)C5CCC6(C)C(CC=C7C8CC(C)(C)CC(OC9OCC(O)C(O)C9OC9OC(CO)C(O)C(O)C9O)C8(C)CCC76C)C5(C)C4)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CC(O)CC(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 10
HBD: 16 FractionCSP3: 0.95
AlogP: -3.01 Num_rotatable_bonds: 14
MolWt: 1237.39 Num_heavy_atoms: 86
TPSA: 433.05 NumAromaticRings: 0

Unique Aglycone
AD49123
Formula: C30H50O3

Smiles:
CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CC(O)CC(C)(CO)C5CCC43C)C2C1
HBA: 3 RingCount: 5
HBD: 3 FractionCSP3: 0.93
AlogP: 6.11 Num_rotatable_bonds: 1
MolWt: 458.73 Num_heavy_atoms: 33
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD05975

CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O