Glycoside
...
GD000952

Name:
None

Formula:
C44H63O17N7

Smiles:
COC(=O)[C@H](NC(=O)[C@H](CCCCNC(=O)OCc1cn([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)nn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C

Aglycone:
COC(=O)C(NC(=O)C(CCCCNC(=O)OCC1=C[N]N=N1)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 24 RingCount: 3
HBD: 4 FractionCSP3: 0.61
AlogP: 1.86 Num_rotatable_bonds: 22
MolWt: 962.02 Num_heavy_atoms: 68
TPSA: 306.3 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD00993
Formula: C30H44O8N7

Smiles:
COC(=O)C(NC(=O)C(CCCCNC(=O)OCC1=C[N]N=N1)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C
HBA: 15 RingCount: 2
HBD: 4 FractionCSP3: 0.57
AlogP: 2.64 Num_rotatable_bonds: 16
MolWt: 630.72 Num_heavy_atoms: 45
TPSA: 199.98 NumAromaticRings: 1

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O