Glycoside
...
GD133780

Name:
Marinoid C

Formula:
C25H30O12

Smiles:
CC1(O)CCC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3OC(=O)C=Cc3ccc(O)cc3)C21

Aglycone:
CC1(O)CCC2C(C(=O)O)=COC(O)C21.O=C(O)C=Cc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 6 FractionCSP3: 0.52
AlogP: -0.13 Num_rotatable_bonds: 7
MolWt: 522.5 Num_heavy_atoms: 37
TPSA: 192.44 NumAromaticRings: 1

Unique Aglycone
AD00021
Formula: C9H8O3

Smiles:
O=C(O)C=Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.49 Num_rotatable_bonds: 2
MolWt: 164.16 Num_heavy_atoms: 12
TPSA: 57.53 NumAromaticRings: 1
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

Sugarmoiety
SD00003

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