Glycoside
...
GD127523

Name:
None

Formula:
C69H100O26N2

Smiles:
COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(OC5CC(OC6CCC(OC7CC(O)C(OC8CCC(O)C(C)O8)C(C)O7)C(C)O6)C(OC(C)=O)C(COC(C)=O)O5)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C=O)=CC(O)C4C=C2C)OC3=O)CC1(C)[NH+]([O-])O

Aglycone:
CC1OC(O)CCC1O.CC1OC(O)CCC1O.COC(C)=O.COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C=O)=CC(O)C4C=C2C)OC3=O)CC1(C)[NH+]([O-])O

Sugarmoiety:
CC(=O)OCC1OC(O)CC(O)O1.CC1OC(O)CC(O)C1O

Other Identifiers

Properties
HBA: 28 RingCount: 10
HBD: 7 FractionCSP3: 0.77
AlogP: 4.6 Num_rotatable_bonds: 16
MolWt: 1373.55 Num_heavy_atoms: 97
TPSA: 375.81 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD00171
Formula: C6H12O3

Smiles:
CC1OC(O)CCC1O
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 1.0
AlogP: -0.14 Num_rotatable_bonds: 0
MolWt: 132.16 Num_heavy_atoms: 9
TPSA: 49.69 NumAromaticRings: 0
AD48587
Formula: C41H56O13N2

Smiles:
COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C=O)=CC(O)C4C=C2C)OC3=O)CC1(C)[NH+]([O-])O
HBA: 15 RingCount: 6
HBD: 6 FractionCSP3: 0.66
AlogP: 2.91 Num_rotatable_bonds: 5
MolWt: 784.9 Num_heavy_atoms: 56
TPSA: 229.14 NumAromaticRings: 0

Sugarmoiety
SD06788

CC(=O)OCC1OC(O)CC(O)O1.CC1OC(O)CC(O)C1O