Glycoside
...
GD157679

Name:
3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl 10-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

Formula:
C59H96O28

Smiles:
CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(CO)C6CCC5(C)C3(C)CC4)OC(CO)C(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O

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

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 28 RingCount: 10
HBD: 17 FractionCSP3: 0.95
AlogP: -4.6 Num_rotatable_bonds: 14
MolWt: 1253.39 Num_heavy_atoms: 87
TPSA: 453.28 NumAromaticRings: 0

Unique Aglycone
AD00478
Formula: C30H48O5

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 0.9
AlogP: 5.18 Num_rotatable_bonds: 2
MolWt: 488.71 Num_heavy_atoms: 35
TPSA: 97.99 NumAromaticRings: 0

Sugarmoiety
SD08493

CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O