Glycoside
...
GD032507

Name:
None

Formula:
C64H83O17N11

Smiles:
CO[C@@H]1[C@H](OC([C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)[C@H](C(=O)O)N(CCCNC(=O)[C@H](NC(=O)[C@H](NC(=O)N[C@H](C(=O)O)C(C)C)[C@@H]2CCN=C(N)N2)[C@H](O)C(C)C)Cc2ccc(-c3ccccc3)cc2)O[C@H](CNCc2ccc(-c3ccccc3)cc2)[C@H]1O

Aglycone:
CC(C)C(NC(=O)NC(C(=O)NC(C(=O)NCCCN(Cc1ccc(-c2ccccc2)cc1)C(CO)C(=O)O)C(O)C(C)C)C1CCN=C(N)N1)C(=O)O.CNCc1ccc(-c2ccccc2)cc1.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:
COC1C(OOC2OC(O)C(O)C2O)OC(O)C1O

Other Identifiers

Properties
HBA: 28 RingCount: 8
HBD: 15 FractionCSP3: 0.47
AlogP: 0.18 Num_rotatable_bonds: 30
MolWt: 1278.43 Num_heavy_atoms: 92
TPSA: 412.31 NumAromaticRings: 5

Unique Aglycone
AD00106
Formula: C4H4O2N2

Smiles:
O=c1cc[nH]c(=O)[nH]1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: -0.94 Num_rotatable_bonds: 0
MolWt: 112.09 Num_heavy_atoms: 8
TPSA: 65.72 NumAromaticRings: 1
AD20846
Formula: C37H54O9N8

Smiles:
CC(C)C(NC(=O)NC(C(=O)NC(C(=O)NCCCN(Cc1ccc(-c2ccccc2)cc1)C(CO)C(=O)O)C(O)C(C)C)C1CCN=C(N)N1)C(=O)O
HBA: 17 RingCount: 3
HBD: 11 FractionCSP3: 0.51
AlogP: 0.06 Num_rotatable_bonds: 20
MolWt: 754.89 Num_heavy_atoms: 54
TPSA: 268.04 NumAromaticRings: 2
AD20847
Formula: C14H15N

Smiles:
CNCc1ccc(-c2ccccc2)cc1
HBA: 1 RingCount: 2
HBD: 1 FractionCSP3: 0.14
AlogP: 3.07 Num_rotatable_bonds: 3
MolWt: 197.28 Num_heavy_atoms: 15
TPSA: 12.03 NumAromaticRings: 2

Sugarmoiety
SD00314

COC1C(OOC2OC(O)C(O)C2O)OC(O)C1O