Glycoside
...
GD121168

Name:
None

Formula:
C34H60O13S

Smiles:
CC(C)C(CCOC1OC(OS(=O)(=O)O)C(O)C(O)C1O)CCC(C)C1C(O)C(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12C

Aglycone:
CC(C)C(CCO)CCC(C)C1C(O)C(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12C.O=S(=O)(O)O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 8 FractionCSP3: 1.0
AlogP: 1.6 Num_rotatable_bonds: 11
MolWt: 708.91 Num_heavy_atoms: 48
TPSA: 223.67 NumAromaticRings: 0

Unique Aglycone
AD00034
Formula: H2O4S

Smiles:
O=S(=O)(O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 98.08 Num_heavy_atoms: 5
TPSA: 74.6 NumAromaticRings: 0
AD00711
Formula: C29H52O5

Smiles:
CC(C)C(CCO)CCC(C)C1C(O)C(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12C
HBA: 5 RingCount: 4
HBD: 5 FractionCSP3: 1.0
AlogP: 3.99 Num_rotatable_bonds: 7
MolWt: 480.73 Num_heavy_atoms: 34
TPSA: 101.15 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O