Glycoside
...
GD007596

Name:
None

Formula:
C42H76O13N10

Smiles:
CCCCCCCCCCCCCCC[C@H](NC(=O)[C@H](N)CCCNC(=N)N)C(=O)NCCCN[C@H](C(=O)O)[C@H](O[C@@H]1O[C@H](CN)[C@H](O)[C@H]1O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O

Aglycone:
CCCCCCCCCCCCCCCC(NC(=O)C(N)CCCNC(=N)N)C(=O)NCCCNC(CO)C(=O)O.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 3
HBD: 17 FractionCSP3: 0.81
AlogP: -1.95 Num_rotatable_bonds: 33
MolWt: 929.13 Num_heavy_atoms: 65
TPSA: 384.94 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
AD06166
Formula: C29H59O5N7

Smiles:
CCCCCCCCCCCCCCCC(NC(=O)C(N)CCCNC(=N)N)C(=O)NCCCNC(CO)C(=O)O
HBA: 12 RingCount: 0
HBD: 11 FractionCSP3: 0.86
AlogP: 2.08 Num_rotatable_bonds: 28
MolWt: 585.84 Num_heavy_atoms: 41
TPSA: 215.68 NumAromaticRings: 0

Sugarmoiety
SD00045

NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1O