Glycoside
...
GD019923

Name:
None

Formula:
C57H94O18N14S2

Smiles:
CC(=O)NC(C=NNC(=O)CCCCCNC(=O)CCCCC1SC[C@@H]2NC(=O)N[C@H]12)C(OC(C=NNC(=O)CCCCCNC(=O)CCCCC1SC[C@@H]2NC(=O)N[C@H]12)CO)OC1C(CO)OC(OC2C(O)C3N=C(N(C)C)OC3C2CO)C(NC(C)=O)C1O

Aglycone:
CC(=O)NC(C=NNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21)C(O)OC(C=NNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21)CO.CN(C)C1=NC2C(O)C(O)C(CO)C2O1

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 32 RingCount: 7
HBD: 15 FractionCSP3: 0.81
AlogP: -2.78 Num_rotatable_bonds: 38
MolWt: 1327.59 Num_heavy_atoms: 91
TPSA: 444.48 NumAromaticRings: 0

Unique Aglycone
AD01895
Formula: C9H16O4N2

Smiles:
CN(C)C1=NC2C(O)C(O)C(CO)C2O1
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.89
AlogP: -1.98 Num_rotatable_bonds: 1
MolWt: 216.24 Num_heavy_atoms: 15
TPSA: 85.52 NumAromaticRings: 0
AD13832
Formula: C40H67O10N11S2

Smiles:
CC(=O)NC(C=NNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21)C(O)OC(C=NNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21)CO
HBA: 21 RingCount: 4
HBD: 11 FractionCSP3: 0.78
AlogP: 0.2 Num_rotatable_bonds: 31
MolWt: 926.18 Num_heavy_atoms: 63
TPSA: 302.17 NumAromaticRings: 0

Sugarmoiety
SD00014

CC(=O)NC1C(O)OC(CO)C(O)C1O