Glycoside
...
GD143697

Name:
None

Formula:
C41H58O15N5S2

Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2OC(CO)NC)OC=C2C(=O)OC3CCCC3CSSC3CC#CC(=CC4=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(C4)C3CO)C21

Aglycone:
C=CC1C(O)OC=C2C(=O)OC3CCCC3CSSC3CC#CC(=CC4=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(C4)C3CO)C21.CNC(O)CO

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

Other Identifiers

Properties
HBA: 20 RingCount: 6
HBD: 13 FractionCSP3: 0.63
AlogP: -3.27 Num_rotatable_bonds: 14
MolWt: 925.07 Num_heavy_atoms: 63
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
AD54007
Formula: C32H41O8N4S2

Smiles:
C=CC1C(O)OC=C2C(=O)OC3CCCC3CSSC3CC#CC(=CC4=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(C4)C3CO)C21
HBA: 12 RingCount: 5
HBD: 8 FractionCSP3: 0.53
AlogP: 0.02 Num_rotatable_bonds: 7
MolWt: 673.83 Num_heavy_atoms: 46
TPSA: 186.41 NumAromaticRings: 0

Sugarmoiety
SD04501

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