Glycoside
...
GD035863

Name:
None

Formula:
C43H71O15N

Smiles:
CCC(=O)O[C@@H]1C=CC=CC[C@H](C)OC(=O)C[C@H](O)[C@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@@](C)(O)[C@H](OC(=O)C(C)CC)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@H](CC=O)C[C@H]1C

Aglycone:
CCC(=O)OC1C=CC=CCC(C)OC(=O)CC(O)C(OC)C(O)C(CC=O)CC1C.CCC(C)C(=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: 3.4 Num_rotatable_bonds: 13
MolWt: 842.03 Num_heavy_atoms: 59
TPSA: 206.05 NumAromaticRings: 0

Unique Aglycone
AD00363
Formula: C5H10O2

Smiles:
CCC(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.8
AlogP: 1.12 Num_rotatable_bonds: 2
MolWt: 102.13 Num_heavy_atoms: 7
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