Glycoside
...
GD026046

Name:
None

Formula:
C51H72O24N10P2S2

Smiles:
O=C(NCCCCCCNC(=O)OCOC(=O)NCCCCCCNC(=O)Nc1ccc(SCCOP(=O)(O)OC[C@@H]2OC(n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)cc1)NSc1ccc(CCOP(=O)(O)OC[C@@H]2OC(n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)cc1

Aglycone:
COP(=O)(O)OCCSc1ccc(NC(=O)NCCCCCCNC(=O)OCOC(=O)NCCCCCCNC(=O)NSc2ccc(CCOP(=O)(O)OC)cc2)cc1.O=c1cc[nH]c(=O)[nH]1.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 34 RingCount: 6
HBD: 14 FractionCSP3: 0.53
AlogP: 1.59 Num_rotatable_bonds: 36
MolWt: 1335.27 Num_heavy_atoms: 89
TPSA: 479.54 NumAromaticRings: 4

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
AD17202
Formula: C35H56O14N6P2S2

Smiles:
COP(=O)(O)OCCSc1ccc(NC(=O)NCCCCCCNC(=O)OCOC(=O)NCCCCCCNC(=O)NSc2ccc(CCOP(=O)(O)OC)cc2)cc1
HBA: 20 RingCount: 2
HBD: 8 FractionCSP3: 0.54
AlogP: 6.51 Num_rotatable_bonds: 30
MolWt: 910.94 Num_heavy_atoms: 59
TPSA: 270.44 NumAromaticRings: 2

Sugarmoiety
SD00025

OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O