Glycoside
...
GD018866

Name:
RUBIYUNNANIN F

Formula:
C48H61O15N7

Smiles:
COc1ccc(C[C@@H]2C(=O)N[C@H](C)C(=O)N(C)[C@@H]3Cc4ccc(cc4)Oc4cc(ccc4O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)C[C@H](C(=O)N[C@H](C)C(=O)N[C@H](CCC(N)=O)C(=O)N2C)N(C)C3=O)cc1

Aglycone:
COc1ccc(CC2C(=O)NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4O)CC(C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)N2C)N(C)C3=O)cc1

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

Other Identifiers

Properties
HBA: 22 RingCount: 7
HBD: 9 FractionCSP3: 0.48
AlogP: -1.74 Num_rotatable_bonds: 9
MolWt: 976.05 Num_heavy_atoms: 70
TPSA: 309.16 NumAromaticRings: 3

Unique Aglycone
AD13230
Formula: C42H51O10N7

Smiles:
COc1ccc(CC2C(=O)NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4O)CC(C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)N2C)N(C)C3=O)cc1
HBA: 17 RingCount: 6
HBD: 6 FractionCSP3: 0.4
AlogP: 0.79 Num_rotatable_bonds: 6
MolWt: 813.91 Num_heavy_atoms: 59
TPSA: 230.01 NumAromaticRings: 3

Sugarmoiety
SD00003

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