Glycoside
...
GD115008

Name:
None

Formula:
C44H69O16N8S4

Smiles:
CNC(CO)OC1C(OC2OC=C3C(=O)OC4CCC(CO)C4CSSC4C(CCNC(N)=[NH2+])SSCC=CC2C3C=CC2=C(NC(=N)NCCCO)C(C(=O)O)=CN(C2)C4CO)OC(CO)C(O)C1(O)O

Aglycone:
CNC(O)CO.N=C(NCCCO)NC1=C2C=CC3C4=COC(O)C3C=CCSSC(CCNC(N)=[NH2+])C(SSCC3C(CO)CCC3OC4=O)C(CO)N(C=C1C(=O)O)C2

Sugarmoiety:
OCC1OC(O)C(O)C(O)(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 6
HBD: 18 FractionCSP3: 0.68
AlogP: -3.82 Num_rotatable_bonds: 17
MolWt: 1094.34 Num_heavy_atoms: 72
TPSA: 389.18 NumAromaticRings: 0

Unique Aglycone
AD45413
Formula: C3H9O2N

Smiles:
CNC(O)CO
HBA: 3 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: -1.48 Num_rotatable_bonds: 2
MolWt: 91.11 Num_heavy_atoms: 6
TPSA: 52.49 NumAromaticRings: 0
AD45414
Formula: C35H52O9N7S4

Smiles:
N=C(NCCCO)NC1=C2C=CC3C4=COC(O)C3C=CCSSC(CCNC(N)=[NH2+])C(SSCC3C(CO)CCC3OC4=O)C(CO)N(C=C1C(=O)O)C2
HBA: 16 RingCount: 5
HBD: 13 FractionCSP3: 0.6
AlogP: -0.53 Num_rotatable_bonds: 10
MolWt: 843.11 Num_heavy_atoms: 55
TPSA: 268.54 NumAromaticRings: 0

Sugarmoiety
SD04501

OCC1OC(O)C(O)C(O)(O)C1O