Glycoside
...
GD018865

Name:
RUBIYUNNANIN H

Formula:
C46H58O15N6

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@H](O)[C@H](C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N2C)N(C)C3=O)cc1

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

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

Other Identifiers

Properties
HBA: 21 RingCount: 7
HBD: 8 FractionCSP3: 0.48
AlogP: -1.49 Num_rotatable_bonds: 6
MolWt: 935.0 Num_heavy_atoms: 67
TPSA: 286.3 NumAromaticRings: 3

Unique Aglycone
AD13229
Formula: C40H48O10N6

Smiles:
COc1ccc(CC2C(=O)NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4O)C(O)C(C(=O)NC(C)C(=O)NC(C)C(=O)N2C)N(C)C3=O)cc1
HBA: 16 RingCount: 6
HBD: 5 FractionCSP3: 0.4
AlogP: 1.03 Num_rotatable_bonds: 3
MolWt: 772.86 Num_heavy_atoms: 56
TPSA: 207.15 NumAromaticRings: 3

Sugarmoiety
SD00003

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