Glycoside
...
GD136052

Name:
keratinicyclin c

Formula:
C72H75O25N8Cl

Smiles:
COC1C(N)CC(OC2c3ccc(c(Cl)c3)Oc3cc4cc(c3OC3OC(CO)C(O)C(O)C3OC3CC(N)C(O)C(C)O3)Oc3ccc(cc3)C3OC(O)=NC3C(O)=NC(Cc3ccccc3)C(O)=NC4C(O)=NC3C(O)=NC2C(O)=NC(C(=O)O)c2cc(O)cc(O)c2-c2cc3ccc2O)OC1C

Aglycone:
CC1OC(O)CC(N)C1O.COC1C(N)CC(OC2c3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3)C3OC(O)=NC3C(O)=NC(Cc3ccccc3)C(O)=NC4C(O)=NC3C(O)=NC2C(O)=NC(C(=O)O)c2cc(O)cc(O)c2-c2cc3ccc2O)OC1C

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

Other Identifiers

Properties
HBA: 33 RingCount: 15
HBD: 18 FractionCSP3: 0.39
AlogP: 6.33 Num_rotatable_bonds: 11
MolWt: 1475.87 Num_heavy_atoms: 105
TPSA: 518.79 NumAromaticRings: 6

Unique Aglycone
AD01040
Formula: C6H13O3N

Smiles:
CC1OC(O)CC(N)C1O
HBA: 4 RingCount: 1
HBD: 4 FractionCSP3: 1.0
AlogP: -1.2 Num_rotatable_bonds: 0
MolWt: 147.17 Num_heavy_atoms: 10
TPSA: 75.71 NumAromaticRings: 0
AD55002
Formula: C60H54O18N7Cl

Smiles:
COC1C(N)CC(OC2c3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3)C3OC(O)=NC3C(O)=NC(Cc3ccccc3)C(O)=NC4C(O)=NC3C(O)=NC2C(O)=NC(C(=O)O)c2cc(O)cc(O)c2-c2cc3ccc2O)OC1C
HBA: 25 RingCount: 13
HBD: 13 FractionCSP3: 0.27
AlogP: 9.01 Num_rotatable_bonds: 6
MolWt: 1184.57 Num_heavy_atoms: 85
TPSA: 395.16 NumAromaticRings: 6

Sugarmoiety
SD00003

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