Glycoside
...
GD025626

Name:
None

Formula:
C54H94O18N12

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(CCCCCCCCCCCCN2CCOCC2)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)O[C@H](CN)[C@H]1O

Aglycone:
CC(C)C(NC(=O)NC(C(=O)NC(C(=O)NCCCN(CCCCCCCCCCCCN1CCOCC1)C(CO)C(=O)O)C(O)C(C)C)C1CCN=C(N)N1)C(=O)O.O=c1cc[nH]c(=O)[nH]1

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

Other Identifiers

Properties
HBA: 30 RingCount: 5
HBD: 16 FractionCSP3: 0.81
AlogP: -2.95 Num_rotatable_bonds: 36
MolWt: 1199.41 Num_heavy_atoms: 84
TPSA: 438.77 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
AD16970
Formula: C40H75O10N9

Smiles:
CC(C)C(NC(=O)NC(C(=O)NC(C(=O)NCCCN(CCCCCCCCCCCCN1CCOCC1)C(CO)C(=O)O)C(O)C(C)C)C1CCN=C(N)N1)C(=O)O
HBA: 19 RingCount: 2
HBD: 11 FractionCSP3: 0.85
AlogP: 0.43 Num_rotatable_bonds: 30
MolWt: 842.09 Num_heavy_atoms: 59
TPSA: 280.51 NumAromaticRings: 0

Sugarmoiety
SD00992

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