Glycoside
...
GD156138

Name:
Clavosine A

Formula:
C60H101O20N4P

Smiles:
COCC(C(O)C(O)C(O)=NC(C)CC(C)c1nc(C=CCC2OC3(CC(OC4OC(C)C(OC)C(OC)C4OC)C2C)OC(C(CC(O)C(C)C(O)C(C)C=C(C)C(C)=CC=CC(C)=CC(=N)O)OC)C(OP(=O)(O)O)C3(C)C)co1)N(C)C

Aglycone:
COCC(C(O)C(O)C(O)=NC(C)CC(C)c1nc(C=CCC2OC3(CC(O)C2C)OC(C(CC(O)C(C)C(O)C(C)C=C(C)C(C)=CC=CC(C)=CC(=N)O)OC)C(OP(=O)(O)O)C3(C)C)co1)N(C)C

Sugarmoiety:
COC1C(C)OC(O)C(OC)C1OC

Other Identifiers

Properties
HBA: 24 RingCount: 4
HBD: 9 FractionCSP3: 0.75
AlogP: 6.74 Num_rotatable_bonds: 32
MolWt: 1229.45 Num_heavy_atoms: 85
TPSA: 336.69 NumAromaticRings: 1

Unique Aglycone
AD61859
Formula: C51H85O16N4P

Smiles:
COCC(C(O)C(O)C(O)=NC(C)CC(C)c1nc(C=CCC2OC3(CC(O)C2C)OC(C(CC(O)C(C)C(O)C(C)C=C(C)C(C)=CC=CC(C)=CC(=N)O)OC)C(OP(=O)(O)O)C3(C)C)co1)N(C)C
HBA: 20 RingCount: 3
HBD: 10 FractionCSP3: 0.71
AlogP: 5.93 Num_rotatable_bonds: 27
MolWt: 1041.23 Num_heavy_atoms: 72
TPSA: 310.77 NumAromaticRings: 1

Sugarmoiety
SD00444

COC1C(C)OC(O)C(OC)C1OC