Glycoside
...
GD015187

Name:
None

Formula:
C42H69O15N

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(=O)CC)C=CC=CC[C@@H](C)OC(=O)C[C@@H](O)[C@H]3OC)[C@H](O)[C@H]2N(C)C)C[C@]1(C)O

Aglycone:
CCC(=O)OC1C=CC=CCC(C)OC(=O)CC(O)C(OC)C(O)C(CC=O)CC1C.CCCC(=O)O

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

Other Identifiers

Properties
HBA: 16 RingCount: 3
HBD: 3 FractionCSP3: 0.81
AlogP: 3.16 Num_rotatable_bonds: 13
MolWt: 828.01 Num_heavy_atoms: 58
TPSA: 206.05 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
AD11063
Formula: C23H36O8

Smiles:
CCC(=O)OC1C=CC=CCC(C)OC(=O)CC(O)C(OC)C(O)C(CC=O)CC1C
HBA: 8 RingCount: 1
HBD: 2 FractionCSP3: 0.7
AlogP: 2.11 Num_rotatable_bonds: 5
MolWt: 440.53 Num_heavy_atoms: 31
TPSA: 119.36 NumAromaticRings: 0

Sugarmoiety
SD00067

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