Glycoside
...
GD024712

Name:
None

Formula:
C64H111O18N13

Smiles:
CCCCCCCCCCCCNC(=O)NC[C@@H]1O[C@H](OC(C2C(=O)N(CCCCCCCCCCCC)C(=O)N2CCCNC(=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)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)[C@H](OC)[C@H]1O

Aglycone:
CCCCCCCCCCCCN1C(=O)C(CO)N(CCCNC(=O)C(NC(=O)C(NC(=O)NC(C(=O)O)C(C)C)C2CCN=C(N)N2)C(O)C(C)C)C1=O.CCCCCCCCCCCCNC(=O)NC.O=c1cc[nH]c(=O)[nH]1

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

Other Identifiers

Properties
HBA: 31 RingCount: 5
HBD: 15 FractionCSP3: 0.81
AlogP: 1.88 Num_rotatable_bonds: 44
MolWt: 1350.66 Num_heavy_atoms: 95
TPSA: 441.49 NumAromaticRings: 1

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
AD06059
Formula: C37H67O9N9

Smiles:
CCCCCCCCCCCCN1C(=O)C(CO)N(CCCNC(=O)C(NC(=O)C(NC(=O)NC(C(=O)O)C(C)C)C2CCN=C(N)N2)C(O)C(C)C)C1=O
HBA: 18 RingCount: 2
HBD: 10 FractionCSP3: 0.81
AlogP: 0.99 Num_rotatable_bonds: 26
MolWt: 782.0 Num_heavy_atoms: 55
TPSA: 268.12 NumAromaticRings: 0
AD16467
Formula: C14H30ON2

Smiles:
CCCCCCCCCCCCNC(=O)NC
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.93
AlogP: 3.84 Num_rotatable_bonds: 11
MolWt: 242.41 Num_heavy_atoms: 17
TPSA: 41.13 NumAromaticRings: 0

Sugarmoiety
SD00314

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