Glycoside
...
GD005642

Name:
WEDELOSIDE

Formula:
C40H55O13N

Smiles:
C=C1[C@H](O)[C@]23CC[C@@H]4C(C(=O)O)(C(=O)O)C[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](OC(=O)CCc6ccccc6)[C@H]5NC(=O)CC(C)C)C[C@@]4(C)[C@H]2CC[C@@]1(O)C3

Aglycone:
C=C1C(O)C23CCC4C(C(=O)O)(C(=O)O)CC(O)CC4(C)C2CCC1(O)C3.CC(C)CC(N)=O.O=C(O)CCc1ccccc1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 7 FractionCSP3: 0.7
AlogP: 2.34 Num_rotatable_bonds: 12
MolWt: 757.87 Num_heavy_atoms: 54
TPSA: 229.38 NumAromaticRings: 1

Unique Aglycone
AD02546
Formula: C20H28O7

Smiles:
C=C1C(O)C23CCC4C(C(=O)O)(C(=O)O)CC(O)CC4(C)C2CCC1(O)C3
HBA: 7 RingCount: 4
HBD: 5 FractionCSP3: 0.8
AlogP: 1.16 Num_rotatable_bonds: 2
MolWt: 380.44 Num_heavy_atoms: 27
TPSA: 135.29 NumAromaticRings: 0
AD02547
Formula: C5H11ON

Smiles:
CC(C)CC(N)=O
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 0.8
AlogP: 0.52 Num_rotatable_bonds: 2
MolWt: 101.15 Num_heavy_atoms: 7
TPSA: 43.09 NumAromaticRings: 0
AD02548
Formula: C9H10O2

Smiles:
O=C(O)CCc1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.22
AlogP: 1.7 Num_rotatable_bonds: 3
MolWt: 150.18 Num_heavy_atoms: 11
TPSA: 37.3 NumAromaticRings: 1

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O