Glycoside
...
GD107840

Name:
None

Formula:
C31H35O13N

Smiles:
C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc3c2)[C@H](O)[C@@H](O)[C@@H]1O

Aglycone:
COC(=O)C(C)NC(=O)OC(C)(C)C.O=c1c(-c2ccc3c(c2)OCCO3)coc2cc(O)ccc12

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 4 FractionCSP3: 0.45
AlogP: 1.87 Num_rotatable_bonds: 7
MolWt: 629.62 Num_heavy_atoms: 45
TPSA: 192.45 NumAromaticRings: 3

Unique Aglycone
AD20889
Formula: C17H12O5

Smiles:
O=c1c(-c2ccc3c(c2)OCCO3)coc2cc(O)ccc12
HBA: 5 RingCount: 4
HBD: 1 FractionCSP3: 0.12
AlogP: 2.94 Num_rotatable_bonds: 1
MolWt: 296.28 Num_heavy_atoms: 22
TPSA: 68.9 NumAromaticRings: 3
AD30353
Formula: C9H17O4N

Smiles:
COC(=O)C(C)NC(=O)OC(C)(C)C
HBA: 5 RingCount: 0
HBD: 1 FractionCSP3: 0.78
AlogP: 1.07 Num_rotatable_bonds: 2
MolWt: 203.24 Num_heavy_atoms: 14
TPSA: 64.63 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O