Glycoside
...
GD016594

Name:
None

Formula:
C37H41O9N7

Smiles:
CC[C@@]12C=CCN3CC[C@@]4(C(=C(C(=O)OC)[C@H]1Nc1ncnc5c1ncn5C1OC(COC(C)=O)C(OC(C)=O)C1OC(C)=O)Nc1ccccc14)C32

Aglycone:
CCC12C=CCN3CCC4(C(=C(C(=O)OC)C1Nc1ncnc5c1N=C[N]5)Nc1ccccc14)C32.COC(C)=O

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

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 2 FractionCSP3: 0.49
AlogP: 2.78 Num_rotatable_bonds: 9
MolWt: 727.78 Num_heavy_atoms: 53
TPSA: 185.33 NumAromaticRings: 3

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
AD11931
Formula: C26H26O2N7

Smiles:
CCC12C=CCN3CCC4(C(=C(C(=O)OC)C1Nc1ncnc5c1N=C[N]5)Nc1ccccc14)C32
HBA: 9 RingCount: 7
HBD: 2 FractionCSP3: 0.38
AlogP: 3.01 Num_rotatable_bonds: 4
MolWt: 468.54 Num_heavy_atoms: 35
TPSA: 105.84 NumAromaticRings: 2

Sugarmoiety
SD00105

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