Glycoside
...
GD003123

Name:
None

Formula:
C42H67O13N3

Smiles:
CCC(=O)O[C@@H]1CC(=O)O[C@H](C)C[C@H](O)[C@H](N(C)CCCc2ccncc2)C=C[C@H](OC(C)=O)[C@H](C)C[C@H](CC=O)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N(C)C)[C@H]2O)[C@H]1OC

Aglycone:
CCC(=O)OC1CC(=O)OC(C)CC(O)C(N(C)CCCc2ccncc2)C=CC(OC(C)=O)C(C)CC(CC=O)C(O)C1OC

Sugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 3
HBD: 3 FractionCSP3: 0.74
AlogP: 2.24 Num_rotatable_bonds: 14
MolWt: 822.01 Num_heavy_atoms: 58
TPSA: 203.72 NumAromaticRings: 1

Unique Aglycone
AD02870
Formula: C34H52O10N2

Smiles:
CCC(=O)OC1CC(=O)OC(C)CC(O)C(N(C)CCCc2ccncc2)C=CC(OC(C)=O)C(C)CC(CC=O)C(O)C1OC
HBA: 12 RingCount: 2
HBD: 2 FractionCSP3: 0.68
AlogP: 2.82 Num_rotatable_bonds: 11
MolWt: 648.79 Num_heavy_atoms: 46
TPSA: 161.79 NumAromaticRings: 1

Sugarmoiety
SD00048

CC1OC(O)C(O)C(N(C)C)C1O