Glycoside
...
GD152198

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

Formula:
C65H106O31

Smiles:
CC1=C2C3CC(C)(C)CCC3(C(=O)OC3C(O)C(CO)OC(OCC4OC(OC5C(C)OC(O)C(O)C5O)C(O)C(O)C4O)C3O)CCC2(C)C2CCC3C(C)(C)C(OC4OC(OC5C(OC6C(O)C(O)OC(CO)C6O)OC(C)C(O)C5O)C(O)C(O)C4O)CCC3(C)C2C1

Aglycone:
CC1=C2C3CC(C)(C)CCC3(C(=O)O)CCC2(C)C2CCC3C(C)(C)C(O)CCC3(C)C2C1

Sugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(O)C(O)OC(CO)C2O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 31 RingCount: 11
HBD: 18 FractionCSP3: 0.95
AlogP: -4.37 Num_rotatable_bonds: 15
MolWt: 1383.53 Num_heavy_atoms: 96
TPSA: 491.97 NumAromaticRings: 0

Unique Aglycone
AD60621
Formula: C30H48O3

Smiles:
CC1=C2C3CC(C)(C)CCC3(C(=O)O)CCC2(C)C2CCC3C(C)(C)C(O)CCC3(C)C2C1
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 7.23 Num_rotatable_bonds: 1
MolWt: 456.71 Num_heavy_atoms: 33
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD09990

CC1OC(O)C(O)C(O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(O)C(O)OC(CO)C2O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1O