Glycoside
...
GD000090

Name:
None

Formula:
C46H70O13N4

Smiles:
CCC(=O)O[C@@H]1CC(=O)O[C@H](C)C[C@H](O)[C@H](N(C)CCCn2cnc(-c3ccccc3)c2)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)CCCn2cnc(-c3ccccc3)c2)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: 17 RingCount: 4
HBD: 3 FractionCSP3: 0.67
AlogP: 3.17 Num_rotatable_bonds: 15
MolWt: 887.08 Num_heavy_atoms: 63
TPSA: 208.65 NumAromaticRings: 2

Unique Aglycone
AD00117
Formula: C38H55O10N3

Smiles:
CCC(=O)OC1CC(=O)OC(C)CC(O)C(N(C)CCCn2cnc(-c3ccccc3)c2)C=CC(OC(C)=O)C(C)CC(CC=O)C(O)C1OC
HBA: 13 RingCount: 3
HBD: 2 FractionCSP3: 0.61
AlogP: 3.74 Num_rotatable_bonds: 12
MolWt: 713.87 Num_heavy_atoms: 51
TPSA: 166.72 NumAromaticRings: 2

Sugarmoiety
SD00048

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