Glycoside
...
GD142570

Name:
None

Formula:
C42H64O15N5S2

Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2OC(CO)NC)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.CNC(O)CO

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

Other Identifiers

Properties
HBA: 20 RingCount: 6
HBD: 13 FractionCSP3: 0.69
AlogP: -2.25 Num_rotatable_bonds: 14
MolWt: 943.13 Num_heavy_atoms: 64
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
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
SD04501

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