Glycoside
...
GD138671

Name:
None

Formula:
C42H63O14N4S2

Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2OC(C)C)OC=C2C(=O)OC3CCC4(CCCC4)C3CSSCC(CO)N3C=C(C(=O)O)C(NC(=[NH2+])NCCCO)=C(C=CC21)C3

Aglycone:
C=CC1C(O)OC=C2C(=O)OC3CCC4(CCCC4)C3CSSCC(CO)N3C=C(C(=O)O)C(NC(=[NH2+])NCCCO)=C(C=CC21)C3

Sugarmoiety:
CC(C)OC1C(O)OC(CO)C(O)C1(O)O

Other Identifiers

Properties
HBA: 18 RingCount: 6
HBD: 11 FractionCSP3: 0.69
AlogP: -0.38 Num_rotatable_bonds: 12
MolWt: 912.11 Num_heavy_atoms: 62
TPSA: 274.79 NumAromaticRings: 0

Unique Aglycone
AD55400
Formula: C33H47O8N4S2

Smiles:
C=CC1C(O)OC=C2C(=O)OC3CCC4(CCCC4)C3CSSCC(CO)N3C=C(C(=O)O)C(NC(=[NH2+])NCCCO)=C(C=CC21)C3
HBA: 12 RingCount: 5
HBD: 8 FractionCSP3: 0.61
AlogP: 1.05 Num_rotatable_bonds: 7
MolWt: 691.89 Num_heavy_atoms: 47
TPSA: 186.41 NumAromaticRings: 0

Sugarmoiety
SD04585

CC(C)OC1C(O)OC(CO)C(O)C1(O)O