Glycoside
...
GD006309

Name:
None

Formula:
C40H62O10

Smiles:
C=C(C=O)CCCC(C)[C@@H]1CC[C@@]23C[C@@]12CCC1[C@]2(C)CC[C@H](OC(C)=O)C(C)(C)C2C[C@H](OC2OC(COC(C)=O)C(O)C(O)C2O)[C@]13C

Aglycone:
C=C(C=O)CCCC(C)C1CCC23CC12CCC1C2(C)CCC(OC(C)=O)C(C)(C)C2CC(O)C13C.COC(C)=O

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

Other Identifiers

Properties
HBA: 10 RingCount: 6
HBD: 3 FractionCSP3: 0.88
AlogP: 5.28 Num_rotatable_bonds: 11
MolWt: 702.93 Num_heavy_atoms: 50
TPSA: 148.82 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD05238
Formula: C32H50O4

Smiles:
C=C(C=O)CCCC(C)C1CCC23CC12CCC1C2(C)CCC(OC(C)=O)C(C)(C)C2CC(O)C13C
HBA: 4 RingCount: 5
HBD: 1 FractionCSP3: 0.88
AlogP: 6.89 Num_rotatable_bonds: 7
MolWt: 498.75 Num_heavy_atoms: 36
TPSA: 63.6 NumAromaticRings: 0

Sugarmoiety
SD00017

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