Glycoside
...
GD035165

Name:
DAEDALEASIDE E

Formula:
C41H62O11

Smiles:
C=C(CC[C@H](C(=O)O[C@@H]1O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1[C@H](OC(C)=O)C[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@H]1CC3)C(C)C

Aglycone:
C=C(CCC(C(=O)O)C1C(OC(C)=O)CC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(C)C.COC(C)=O

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

Other Identifiers

Properties
HBA: 11 RingCount: 5
HBD: 3 FractionCSP3: 0.8
AlogP: 5.37 Num_rotatable_bonds: 10
MolWt: 730.94 Num_heavy_atoms: 52
TPSA: 165.89 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
AD09218
Formula: C33H50O5

Smiles:
C=C(CCC(C(=O)O)C1C(OC(C)=O)CC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(C)C
HBA: 5 RingCount: 4
HBD: 1 FractionCSP3: 0.79
AlogP: 7.54 Num_rotatable_bonds: 7
MolWt: 526.76 Num_heavy_atoms: 38
TPSA: 80.67 NumAromaticRings: 0

Sugarmoiety
SD00017

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