Glycoside
...
GD019293

Name:
None

Formula:
C30H46O16N2

Smiles:
CCCCCC(=O)NC[C@H](O)[C@H](O)[C@@H]1O[C@](OC[C@@H]2O[C@H](Oc3ccc(OC)cc3)[C@H](O)[C@H](O)[C@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO

Aglycone:
CCCCCC(=O)NCC(O)C(O)C1OC(OC)(C(=O)O)CC(O)C1NC(=O)CO.COc1ccc(O)cc1

Sugarmoiety:
CO.OC1OOC(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 3
HBD: 10 FractionCSP3: 0.7
AlogP: -3.28 Num_rotatable_bonds: 17
MolWt: 690.7 Num_heavy_atoms: 48
TPSA: 283.26 NumAromaticRings: 1

Unique Aglycone
AD01111
Formula: C7H8O2

Smiles:
COc1ccc(O)cc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.4 Num_rotatable_bonds: 1
MolWt: 124.14 Num_heavy_atoms: 9
TPSA: 29.46 NumAromaticRings: 1
AD13490
Formula: C18H32O10N2

Smiles:
CCCCCC(=O)NCC(O)C(O)C1OC(OC)(C(=O)O)CC(O)C1NC(=O)CO
HBA: 12 RingCount: 1
HBD: 7 FractionCSP3: 0.83
AlogP: -2.54 Num_rotatable_bonds: 12
MolWt: 436.46 Num_heavy_atoms: 30
TPSA: 194.88 NumAromaticRings: 0

Sugarmoiety
SD01599

CO.OC1OOC(O)C(O)C1O