Glycoside
...
GD035442

Name:
Roselipin-2A

Formula:
C42H74O15

Smiles:
CC[C@H](C)C[C@H](C)C[C@H](C)[C@H](O[C@@H]1O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]1O)[C@H](C)C=C(C)[C@H](O)[C@H](C)C=C(C)[C@H](O)[C@H](C)C=C(C)C(=O)OC[C@H](O)[C@H](O)[C@H](O)CO

Aglycone:
CCC(C)CC(C)CC(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C=O.COC(C)=O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC(O)C(O)C(O)COO

Other Identifiers

Properties
HBA: 15 RingCount: 1
HBD: 9 FractionCSP3: 0.81
AlogP: 1.93 Num_rotatable_bonds: 24
MolWt: 819.04 Num_heavy_atoms: 57
TPSA: 253.13 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD06935
Formula: C29H52O4

Smiles:
CCC(C)CC(C)CC(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C=O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 0.76
AlogP: 6.11 Num_rotatable_bonds: 15
MolWt: 464.73 Num_heavy_atoms: 33
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD03213

OC1OC(O)C(O)C(O)C1O.OCC(O)C(O)C(O)COO