Glycoside
...
GD020013

Name:
None

Formula:
C45H71O18N

Smiles:
CCCC(=O)O[C@@H]1[C@H](C)O[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@H]3[C@H](CC=O)C[C@@H](C)[C@@H](OC(C)=O)C=CC=CC[C@@H](C)OC(=O)C[C@@H](O)[C@H]3OC)[C@@H](OC(=O)CCC(=O)O)[C@H]2N(C)C)C[C@]1(C)O

Aglycone:
CCCC(=O)O.COC1C(O)CC(=O)OC(C)CC=CC=CC(OC(C)=O)C(C)CC(CC=O)C1O.O=C(O)CCC(=O)O

Sugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1

Other Identifiers

Properties
HBA: 19 RingCount: 3
HBD: 3 FractionCSP3: 0.78
AlogP: 3.18 Num_rotatable_bonds: 16
MolWt: 914.05 Num_heavy_atoms: 64
TPSA: 249.42 NumAromaticRings: 0

Unique Aglycone
AD00922
Formula: C4H8O2

Smiles:
CCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.75
AlogP: 0.87 Num_rotatable_bonds: 2
MolWt: 88.11 Num_heavy_atoms: 6
TPSA: 37.3 NumAromaticRings: 0
AD05635
Formula: C4H6O4

Smiles:
O=C(O)CCC(=O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.5
AlogP: -0.06 Num_rotatable_bonds: 3
MolWt: 118.09 Num_heavy_atoms: 8
TPSA: 74.6 NumAromaticRings: 0
AD06789
Formula: C22H34O8

Smiles:
COC1C(O)CC(=O)OC(C)CC=CC=CC(OC(C)=O)C(C)CC(CC=O)C1O
HBA: 8 RingCount: 1
HBD: 2 FractionCSP3: 0.68
AlogP: 1.72 Num_rotatable_bonds: 4
MolWt: 426.51 Num_heavy_atoms: 30
TPSA: 119.36 NumAromaticRings: 0

Sugarmoiety
SD00067

CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1