Glycoside
...
GD117149

Name:
None

Formula:
C43H66O15N5S2

Smiles:
CNC(CO)OC1C(OC2OC=C3C(=O)OC4CCCC4CSSCC(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)OC3CCCC3CSSCC(CO)N(C=C1C(=O)O)C2

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

Other Identifiers

Properties
HBA: 20 RingCount: 6
HBD: 13 FractionCSP3: 0.7
AlogP: -1.71 Num_rotatable_bonds: 14
MolWt: 957.15 Num_heavy_atoms: 65
TPSA: 307.05 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
AD46663
Formula: C34H49O8N4S2

Smiles:
[NH2+]=C(NCCCO)NC1=C2C=CC3C(=COC(O)C3C=C3CCCCC3)C(=O)OC3CCCC3CSSCC(CO)N(C=C1C(=O)O)C2
HBA: 12 RingCount: 5
HBD: 8 FractionCSP3: 0.62
AlogP: 1.58 Num_rotatable_bonds: 7
MolWt: 705.92 Num_heavy_atoms: 48
TPSA: 186.41 NumAromaticRings: 0

Sugarmoiety
SD04501

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