Glycoside
...
GD115629

Name:
None

Formula:
C44H68O16N5S2

Smiles:
CNC(CO)OC1C(OC2OC=C3C(=O)OC4CCC(CO)C4CSSCC(CO)N4C=C(C(=O)O)C(NC(=[NH2+])NCCCO)=C(C=CC3C2C=C2CCCCC2)C4)OC(CO)C(O)C1(O)O

Aglycone:
CNC(O)CO.[NH2+]=C(NCCCO)NC1=C2C=CC3C(=COC(O)C3C=C3CCCCC3)C(=O)OC3CCC(CO)C3CSSCC(CO)N(C=C1C(=O)O)C2

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

Other Identifiers

Properties
HBA: 21 RingCount: 6
HBD: 14 FractionCSP3: 0.7
AlogP: -2.49 Num_rotatable_bonds: 15
MolWt: 987.18 Num_heavy_atoms: 67
TPSA: 327.28 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
AD45776
Formula: C35H51O9N4S2

Smiles:
[NH2+]=C(NCCCO)NC1=C2C=CC3C(=COC(O)C3C=C3CCCCC3)C(=O)OC3CCC(CO)C3CSSCC(CO)N(C=C1C(=O)O)C2
HBA: 13 RingCount: 5
HBD: 9 FractionCSP3: 0.63
AlogP: 0.8 Num_rotatable_bonds: 8
MolWt: 735.95 Num_heavy_atoms: 50
TPSA: 206.64 NumAromaticRings: 0

Sugarmoiety
SD04501

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