Glycoside
...
GD022138

Name:
None

Formula:
C50H71O16N7

Smiles:
CN(C)C1=CC2Oc3cc(N(C)C)ccc3C(c3ccc(C(=O)NC[C@@H]4O[C@H](O[C@H]5[C@H](CO)O[C@@H](C[C@H]6[C@H](O[C@@H]7C[C@H](CO)[C@H](O)[C@H](O)[C@H]7N)[C@@H](N)C[C@@H](N)[C@H]6O)[C@H]5O)[C@H](N)[C@H](O)[C@H]4O)cc3C(=O)O)=C2C=C1

Aglycone:
CC1C(O)C(N)CC(N)C1OC1CC(CO)C(O)C(O)C1N.CNC(=O)c1ccc(C2=C3C=CC(N(C)C)=CC3Oc3cc(N(C)C)ccc32)c(C(=O)O)c1

Sugarmoiety:
NC1C(OC2C(CO)OC(O)C2O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 8
HBD: 18 FractionCSP3: 0.6
AlogP: -3.72 Num_rotatable_bonds: 15
MolWt: 1026.15 Num_heavy_atoms: 73
TPSA: 384.95 NumAromaticRings: 2

Unique Aglycone
AD06892
Formula: C26H27O4N3

Smiles:
CNC(=O)c1ccc(C2=C3C=CC(N(C)C)=CC3Oc3cc(N(C)C)ccc32)c(C(=O)O)c1
HBA: 7 RingCount: 4
HBD: 2 FractionCSP3: 0.23
AlogP: 3.39 Num_rotatable_bonds: 5
MolWt: 445.52 Num_heavy_atoms: 33
TPSA: 82.11 NumAromaticRings: 2
AD15043
Formula: C14H29O5N3

Smiles:
CC1C(O)C(N)CC(N)C1OC1CC(CO)C(O)C(O)C1N
HBA: 8 RingCount: 2
HBD: 10 FractionCSP3: 1.0
AlogP: -3.14 Num_rotatable_bonds: 3
MolWt: 319.4 Num_heavy_atoms: 22
TPSA: 168.21 NumAromaticRings: 0

Sugarmoiety
SD02453

NC1C(OC2C(CO)OC(O)C2O)OC(O)C(O)C1O