Glycoside
...
GD147465

Name:
None

Formula:
C39H60O16N5S2

Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2OC(CO)NC)OC=C2C(=O)OC3CCC(CO)C3CSSCC(CO)N3C=C(C(=O)O)C(NC(=[NH2+])NCCCO)=C(C=CC21)C3

Aglycone:
C=CC1C(O)OC=C2C(=O)OC3CCC(CO)C3CSSCC(CO)N3C=C(C(=O)O)C(NC(=[NH2+])NCCCO)=C(C=CC21)C3.CNC(O)CO

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

Other Identifiers

Properties
HBA: 21 RingCount: 5
HBD: 14 FractionCSP3: 0.67
AlogP: -4.2 Num_rotatable_bonds: 15
MolWt: 919.06 Num_heavy_atoms: 62
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
AD54478
Formula: C30H43O9N4S2

Smiles:
C=CC1C(O)OC=C2C(=O)OC3CCC(CO)C3CSSCC(CO)N3C=C(C(=O)O)C(NC(=[NH2+])NCCCO)=C(C=CC21)C3
HBA: 13 RingCount: 4
HBD: 9 FractionCSP3: 0.57
AlogP: -0.91 Num_rotatable_bonds: 8
MolWt: 667.83 Num_heavy_atoms: 45
TPSA: 206.64 NumAromaticRings: 0

Sugarmoiety
SD04501

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