Glycoside
...
GD155030

Name:
None

Formula:
C36H56O15N5

Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2OC(CO)NC)OC=C(C(=O)OC2CCCC2)C1C=CC1=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C1

Aglycone:
C=CC1C(O)OC=C(C(=O)OC2CCCC2)C1C=CC1=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C1.CNC(O)CO

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

Other Identifiers

Properties
HBA: 20 RingCount: 4
HBD: 13 FractionCSP3: 0.64
AlogP: -4.41 Num_rotatable_bonds: 19
MolWt: 798.86 Num_heavy_atoms: 56
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
AD48395
Formula: C27H39O8N4

Smiles:
C=CC1C(O)OC=C(C(=O)OC2CCCC2)C1C=CC1=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C1
HBA: 12 RingCount: 3
HBD: 8 FractionCSP3: 0.52
AlogP: -1.11 Num_rotatable_bonds: 12
MolWt: 547.63 Num_heavy_atoms: 39
TPSA: 186.41 NumAromaticRings: 0

Sugarmoiety
SD04501

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