Glycoside
...
GD133199

Name:
Rotundioside G

Formula:
C47H76O16

Smiles:
CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(C)(C)CC63)C(O)CC45C)C2(C)C)C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1O

Aglycone:
CC1(C)CCC23COC4(C=CC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1

Sugarmoiety:
CC1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 9
HBD: 9 FractionCSP3: 0.96
AlogP: 1.27 Num_rotatable_bonds: 7
MolWt: 897.11 Num_heavy_atoms: 63
TPSA: 246.68 NumAromaticRings: 0

Unique Aglycone
AD09166
Formula: C30H48O3

Smiles:
CC1(C)CCC23COC4(C=CC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1
HBA: 3 RingCount: 6
HBD: 2 FractionCSP3: 0.93
AlogP: 6.13 Num_rotatable_bonds: 0
MolWt: 456.71 Num_heavy_atoms: 33
TPSA: 49.69 NumAromaticRings: 0

Sugarmoiety
SD02336

CC1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1O