Glycoside
...
GD129862

Name:
tetrocarcin b

Formula:
C61H88O22N2

Smiles:
COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(OC5CC(OC6COC(C)C(OC7CC(O)C(O)C(C)O7)C6)C(OC(C)=O)C(C)O5)C(C)CC(C)C4C3(C)C(O)=C3C(=O)OC4(CC(C=O)=CC(O)C4C=C2C)C3=O)CC1(C)[NH+]([O-])O

Aglycone:
CC1OCC(O)CC1O.COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(O)=C3C(=O)OC4(CC(C=O)=CC(O)C4C=C2C)C3=O)CC1(C)[NH+]([O-])O

Sugarmoiety:
CC(=O)OC1C(O)CC(O)OC1C.CC1OC(O)CC(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 9
HBD: 7 FractionCSP3: 0.75
AlogP: 3.8 Num_rotatable_bonds: 12
MolWt: 1201.37 Num_heavy_atoms: 85
TPSA: 331.05 NumAromaticRings: 0

Unique Aglycone
AD48306
Formula: C41H56O13N2

Smiles:
COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(O)=C3C(=O)OC4(CC(C=O)=CC(O)C4C=C2C)C3=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
AD52609
Formula: C6H12O3

Smiles:
CC1OCC(O)CC1O
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 1.0
AlogP: -0.48 Num_rotatable_bonds: 0
MolWt: 132.16 Num_heavy_atoms: 9
TPSA: 49.69 NumAromaticRings: 0

Sugarmoiety
SD00072

CC(=O)OC1C(O)CC(O)OC1C.CC1OC(O)CC(O)C1O