Glycoside
...
GD145973

Name:
None

Formula:
C37H58O15N5

Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2OC(CO)NC)OC=C(C(=O)OC2CCCCC2)C1C=CC1=CN(CCO)CC(C(=O)O)=C1NC(=[NH2+])NCCCO

Aglycone:
C=CC1C(O)OC=C(C(=O)OC2CCCCC2)C1C=CC1=CN(CCO)CC(C(=O)O)=C1NC(=[NH2+])NCCCO.CNC(O)CO

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

Other Identifiers

Properties
HBA: 20 RingCount: 4
HBD: 13 FractionCSP3: 0.65
AlogP: -4.02 Num_rotatable_bonds: 19
MolWt: 812.89 Num_heavy_atoms: 57
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
AD58069
Formula: C28H41O8N4

Smiles:
C=CC1C(O)OC=C(C(=O)OC2CCCCC2)C1C=CC1=CN(CCO)CC(C(=O)O)=C1NC(=[NH2+])NCCCO
HBA: 12 RingCount: 3
HBD: 8 FractionCSP3: 0.54
AlogP: -0.72 Num_rotatable_bonds: 12
MolWt: 561.66 Num_heavy_atoms: 40
TPSA: 186.41 NumAromaticRings: 0

Sugarmoiety
SD04501

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