Glycoside
...
GD148815

Name:
None

Formula:
C48H69O16N8S4

Smiles:
CNC(CO)OC1C(OC2OC=C3C(=O)OC4CCC(CO)C4CSSC4C(CO)N5C=C(C(=O)O)C(NC(=N)NCCCO)=C(C=C6C#CC4(CC4CCNC(=[NH2+])N4)SSCC=CC2C63)C5)OC(CO)C(O)C1(O)O

Aglycone:
CNC(O)CO.N=C(NCCCO)NC1=C2C=C3C#CC4(CC5CCNC(=[NH2+])N5)SSCC=CC5C(O)OC=C(C(=O)OC6CCC(CO)C6CSSC4C(CO)N(C=C1C(=O)O)C2)C35

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

Other Identifiers

Properties
HBA: 24 RingCount: 8
HBD: 17 FractionCSP3: 0.67
AlogP: -3.66 Num_rotatable_bonds: 16
MolWt: 1142.39 Num_heavy_atoms: 76
TPSA: 375.19 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
AD56593
Formula: C39H52O9N7S4

Smiles:
N=C(NCCCO)NC1=C2C=C3C#CC4(CC5CCNC(=[NH2+])N5)SSCC=CC5C(O)OC=C(C(=O)OC6CCC(CO)C6CSSC4C(CO)N(C=C1C(=O)O)C2)C35
HBA: 16 RingCount: 7
HBD: 12 FractionCSP3: 0.59
AlogP: -0.37 Num_rotatable_bonds: 9
MolWt: 891.15 Num_heavy_atoms: 59
TPSA: 254.55 NumAromaticRings: 0

Sugarmoiety
SD04501

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