Glycoside
...
GD140683

Name:
None

Formula:
C27H32O11

Smiles:
CC1(O)CCC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3OC(=O)C=CC=Cc3ccccc3)C21

Aglycone:
CC1(O)CCC2C(C(=O)O)=COC(O)C21.O=C(O)C=CC=Cc1ccccc1

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

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 5 FractionCSP3: 0.48
AlogP: 0.73 Num_rotatable_bonds: 8
MolWt: 532.54 Num_heavy_atoms: 38
TPSA: 172.21 NumAromaticRings: 1

Unique Aglycone
AD10227
Formula: C10H14O5

Smiles:
CC1(O)CCC2C(C(=O)O)=COC(O)C21
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.7
AlogP: 0.08 Num_rotatable_bonds: 1
MolWt: 214.22 Num_heavy_atoms: 15
TPSA: 86.99 NumAromaticRings: 0
AD56719
Formula: C11H10O2

Smiles:
O=C(O)C=CC=Cc1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 2.34 Num_rotatable_bonds: 3
MolWt: 174.2 Num_heavy_atoms: 13
TPSA: 37.3 NumAromaticRings: 1

Sugarmoiety
SD00003

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