Glycoside
...
GD014148

Name:
None

Formula:
C75H118O21N12

Smiles:
CO[C@@H]1C=CO[C@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN(Cc6cn(CCCCCCCCCCCCO[C@H]7[C@H](O[C@@H]8O[C@H](CN)[C@H](O)C[C@H]8N)[C@@H](N)C[C@@H](N)[C@H]7O[C@@H]7O[C@H](CO)[C@H](O)[C@H](N)[C@H]7O)nn6)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C

Aglycone:
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN(Cc6cn(CCCCCCCCCCCCOC7C(O)C(N)CC(N)C7OC7OC(CN)C(O)CC7N)nn6)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C

Sugarmoiety:
NC1C(O)C(O)OC(CO)C1O

Other Identifiers

Properties
HBA: 33 RingCount: 10
HBD: 20 FractionCSP3: 0.71
AlogP: 2.14 Num_rotatable_bonds: 26
MolWt: 1523.83 Num_heavy_atoms: 108
TPSA: 508.03 NumAromaticRings: 3

Unique Aglycone
AD10449
Formula: C69H107O17N11

Smiles:
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN(Cc6cn(CCCCCCCCCCCCOC7C(O)C(N)CC(N)C7OC7OC(CN)C(O)CC7N)nn6)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C
HBA: 28 RingCount: 9
HBD: 16 FractionCSP3: 0.68
AlogP: 4.35 Num_rotatable_bonds: 23
MolWt: 1362.67 Num_heavy_atoms: 97
TPSA: 423.09 NumAromaticRings: 3

Sugarmoiety
SD00372

NC1C(O)C(O)OC(CO)C1O