Glycoside
...
GD011339

Name:
None

Formula:
C54H75O20N13

Smiles:
COc1ccc(NC(=O)NC[C@@H]2O[C@H](OC(C3C(=O)N(c4ccc(OC)cc4)C(=O)N3CCCNC(=O)[C@H](NC(=O)[C@H](NC(=O)N[C@H](C(=O)O)C(C)C)[C@@H]3CCN=C(N)N3)[C@H](O)C(C)C)[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@H]3O)[C@H](OC)[C@H]2O)cc1

Aglycone:
CNC(=O)Nc1ccc(OC)cc1.COc1ccc(N2C(=O)C(CO)N(CCCNC(=O)C(NC(=O)C(NC(=O)NC(C(=O)O)C(C)C)C3CCN=C(N)N3)C(O)C(C)C)C2=O)cc1.O=c1cc[nH]c(=O)[nH]1

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

Other Identifiers

Properties
HBA: 33 RingCount: 7
HBD: 15 FractionCSP3: 0.56
AlogP: -3.22 Num_rotatable_bonds: 26
MolWt: 1226.27 Num_heavy_atoms: 87
TPSA: 459.95 NumAromaticRings: 3

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
AD08678
Formula: C9H12O2N2

Smiles:
CNC(=O)Nc1ccc(OC)cc1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.22
AlogP: 1.45 Num_rotatable_bonds: 2
MolWt: 180.21 Num_heavy_atoms: 13
TPSA: 50.36 NumAromaticRings: 1
AD08679
Formula: C32H49O10N9

Smiles:
COc1ccc(N2C(=O)C(CO)N(CCCNC(=O)C(NC(=O)C(NC(=O)NC(C(=O)O)C(C)C)C3CCN=C(N)N3)C(O)C(C)C)C2=O)cc1
HBA: 19 RingCount: 3
HBD: 10 FractionCSP3: 0.59
AlogP: -1.71 Num_rotatable_bonds: 17
MolWt: 719.8 Num_heavy_atoms: 51
TPSA: 277.35 NumAromaticRings: 1

Sugarmoiety
SD00314

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