Glycoside
...
GD003958

Name:
None

Formula:
C100H144O13N6

Smiles:
CC(C)(C)c1ccc(COC[C@@H]2O[C@H](O[C@H]3[C@H](O[C@@H]4O[C@H](CN)[C@H](OCc5ccc(C(C)(C)C)cc5)[C@H](OCc5ccc(C(C)(C)C)cc5)[C@H]4N)[C@@H](N)C[C@@H](N)[C@H]3OCc3ccc(C(C)(C)C)cc3)[C@H](OCc3ccc(C(C)(C)C)cc3)[C@H]2O[C@@H]2O[C@H](CN)[C@H](OCc3ccc(C(C)(C)C)cc3)[C@H](OCc3ccc(C(C)(C)C)cc3)[C@H]2N)cc1

Aglycone:
CC(C)(C)c1ccc(CO)cc1.CC(C)(C)c1ccc(CO)cc1.CC(C)(C)c1ccc(CO)cc1.CC(C)(C)c1ccc(CO)cc1.CC(C)(C)c1ccc(CO)cc1.CC(C)(C)c1ccc(COC2C(N)CC(N)C(O)C2O)cc1.COCc1ccc(C(C)(C)C)cc1

Sugarmoiety:
NCC1OC(O)C(N)C(O)C1O.NCC1OC(OC2C(CO)OC(O)C2O)C(N)OC1O

Other Identifiers

Properties
HBA: 19 RingCount: 11
HBD: 12 FractionCSP3: 0.58
AlogP: 15.76 Num_rotatable_bonds: 30
MolWt: 1638.28 Num_heavy_atoms: 119
TPSA: 276.11 NumAromaticRings: 7

Unique Aglycone
AD03521
Formula: C11H16O

Smiles:
CC(C)(C)c1ccc(CO)cc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.45
AlogP: 2.48 Num_rotatable_bonds: 1
MolWt: 164.25 Num_heavy_atoms: 12
TPSA: 20.23 NumAromaticRings: 1
AD03522
Formula: C17H28O3N2

Smiles:
CC(C)(C)c1ccc(COC2C(N)CC(N)C(O)C2O)cc1
HBA: 5 RingCount: 2
HBD: 6 FractionCSP3: 0.65
AlogP: 0.65 Num_rotatable_bonds: 3
MolWt: 308.42 Num_heavy_atoms: 22
TPSA: 101.73 NumAromaticRings: 1
AD03523
Formula: C12H18O

Smiles:
COCc1ccc(C(C)(C)C)cc1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.5
AlogP: 3.13 Num_rotatable_bonds: 2
MolWt: 178.27 Num_heavy_atoms: 13
TPSA: 9.23 NumAromaticRings: 1

Sugarmoiety
SD00800

NCC1OC(O)C(N)C(O)C1O.NCC1OC(OC2C(CO)OC(O)C2O)C(N)OC1O